Hydrochloric Acid

Hydrochloric Acid

SCHEMBL26688727

CCCN(CCC)CCc1c[nH]c2cccc(OC(=O)OC)c12.Cl

nearest known ligand 0.56

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 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A known ✓ P28223 8/20 0.52
▸ HTR6 known ✓ P50406 2/20 0.52
▸ HTR1A known ✓ P08908 3/20 0.49
▸ HTR2C known ✓ P28335 2/20 0.49
▸ HTR2B known ✓ P41595 2/20 0.49
▸ HTR1D known ✓ P28221 2/20 0.43
▸ DRD1 known ✓ P21728 1/20 0.43
▸ HTR1B known ✓ P28222 1/20 0.43
▸ HTR1E known ✓ P28566 1/20 0.43
▸ HTR7 known ✓ P34969 1/20 0.43
▸ DRD3 known ✓ P35462 1/20 0.43
▸ HTR5A known ✓ P47898 1/20 0.43
▸ HTR1F known ✓ P30939 1/20 0.42
▸ MTNR1A P48039 1/20 0.53
▸ MTNR1B P49286 1/20 0.53
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ADORA2A P29274 1/20 0.43

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
SCHEMBL24512387 0.99 MTNR1A (0.54) MTNR1AMTNR1BHTR2AHTR6HTR1A
SCHEMBL27084685 0.89 HTR2A (0.59) MTNR1AMTNR1BHTR2AHTR6HTR1A
SCHEMBL27084863 0.89 HTR2A (0.59) MTNR1AMTNR1BHTR2AHTR6HTR1A
SCHEMBL27085036 0.88 HTR2A (0.54) MTNR1AMTNR1BHTR2AHTR6HTR1A
SCHEMBL27085071 0.88 HTR2A (0.53) MTNR1AMTNR1BHTR2AHTR6HTR1A
SCHEMBL20970971 0.87 HTR2A (0.52) MTNR1AMTNR1BHTR2AHTR6HTR1A
SCHEMBL29633123 0.87 HTR2A (0.52) MTNR1AMTNR1BHTR2AHTR6HTR1A
SCHEMBL29112618 0.86 HTR2A (0.56) MTNR1AMTNR1BHTR2AHTR6HTR1A
Hydrochloric Acid SCHEMBL27215583 0.86 HTR2A (0.49) MTNR1AMTNR1BHTR2AHTR6HTR1A
Hydrochloric Acid SCHEMBL26186705 0.85 MTNR1A (0.54) MTNR1AMTNR1BHTR2AHTR6HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225678-A2 TRYPTAMINE DERIVATIVES CAAMTECH, INC. (US) 2023-11-23 — — WO claimed
WO-2023225678-A2 TRYPTAMINE DERIVATIVES CAAMTECH, INC. (US) 2023-11-23 — — WO disclosed
Send feedback