Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2171764

Cl.N[C@@H]1CCOc2c(Br)cc(Br)cc21

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 1/20 0.31
ADRA2B known ✓ P18089 1/20 0.31
ADRA2C known ✓ P18825 1/20 0.31
ADRA1A known ✓ P35348 1/20 0.31
TERT O14746 1/20 0.35
AHR P35869 2/20 0.33
MEN1 O00255 1/20 0.30
CRHBP P24387 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHR2 Q13324 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL29200781 1.00 TERT (0.35) TERTAHRADRA2AADRA2BADRA2C
SCHEMBL10036720 0.98 TERT (0.36) TERTAHRADRA2AADRA2BADRA2C
SCHEMBL10036710 0.98 TERT (0.36) TERTAHRADRA2AADRA2BADRA2C
SCHEMBL2172848 0.77 MAP3K14 (0.40) TERTAHRADRA2AADRA2BADRA2C
SCHEMBL23976381 0.74 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1A
Hydrochloric Acid SCHEMBL21810776 0.72 ADRA2A (0.49) AHRADRA2A
Hydrochloric Acid SCHEMBL27159672 0.72 ADRA2A (0.49) AHRADRA2A
SCHEMBL31347590 0.72 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL4142656 0.70 ADRA2A (0.50) AHRADRA2A
SCHEMBL14904042 0.70 TERT (0.32) TERT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624103-A Synthesis method of (R) -6, 8-dibromochroman-4-amine hydrochloride 上海添泽生物医药有限公司 2024-03-01 CN claimed
CN-117624103-A Synthesis method of (R) -6, 8-dibromochroman-4-amine hydrochloride 上海添泽生物医药有限公司 2024-03-01 CN disclosed
CN-117624103-A Synthesis method of (R) -6, 8-dibromochroman-4-amine hydrochloride 上海添泽生物医药有限公司 2024-03-01 CN disclosed
CN-117624103-A Synthesis method of (R) -6, 8-dibromochroman-4-amine hydrochloride 上海添泽生物医药有限公司 2024-03-01 CN disclosed
EP-2091536-B1 ENANTIOMERIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY CRESTONE INC (US) 2013-07-31 EP disclosed
US-7973050-B2 5-[3-((R)(-)-5,7-Dibromo-1,2,3,4-tetrahydro-naphthalen-1-ylamino)-propylamino]-4H-thieno[3,2-b]pyridine-7-one; optically active; new target antibiotic, inhibitor of bacterial methionyl tRNA synthetase; antibiotic resistance; Clostridium difficile infection; mostly in immunodeficient, elderly CRESTONE, INC. (US) 2011-07-05 US disclosed
EP-2091536-A2 ENANTIOMERIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Crestone, Inc. (US) 2009-08-26 EP disclosed
US-20080108651-A1 Enantiomeric Compounds With Antibacterial Activity REPLIDYNE, INC. (US) 2008-05-08 US disclosed
WO-2008039640-A2 ENANTIOMERIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY CRESTONE, INC. (US) 2008-04-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080108651-A1 Enantiomeric Compounds With Antibacterial Activity MTR, HMBS, MAT1A ADRA2A 3376/4885ADRA2B 3297/4885ADRA2C 3436/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.