Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6139934

Cl.NC(=O)c1ccc(N2CCC(N)CC2)cc1

nearest known ligand 0.53

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
CHRNA7 known ✓ P36544 1/20 0.51
HRH3 known ✓ Q9Y5N1 1/20 0.50
ACVR1 known ✓ Q04771 1/20 0.43
GRIN2D known ✓ O15399 1/20 0.42
GRIN3B known ✓ O60391 1/20 0.42
GRIN1 known ✓ Q05586 1/20 0.42
GRIN2A known ✓ Q12879 1/20 0.42
GRIN2B known ✓ Q13224 1/20 0.42
GRIN2C known ✓ Q14957 1/20 0.42
GRIN3A known ✓ Q8TCU5 1/20 0.42
GPR119 Q8TDV5 1/20 0.53
SMYD3 Q9H7B4 1/20 0.52
CHRNA10 Q9GZZ6 1/20 0.51
CHRNA9 Q9UGM1 1/20 0.51
USP2 O75604 1/20 0.50
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
F2 P00734 2/20 0.46

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
SCHEMBL2263367 0.98 GPR119 (0.55) GPR119SMYD3CHRNA7CHRNA10CHRNA9
SCHEMBL18871943 0.88 GPR119 (0.55) GPR119CHRNA7CHRNA10CHRNA9USP2
Hydrochloric Acid SCHEMBL27077636 0.86 USP2 (0.68) SMYD3USP2ALDH1A1F2PRSS1
SCHEMBL7230153 0.84 USP2 (0.70) SMYD3USP2ALDH1A1F2PRSS1
SCHEMBL11962881 0.84 GPR119 (0.55) GPR119SMYD3CHRNA7CHRNA10CHRNA9
SCHEMBL3773829 0.83 MAPT (0.57) GPR119SMYD3USP2MEN1ALDH1A1
SCHEMBL16130769 0.83 USP2 (0.73) GPR119CHRNA7CHRNA10CHRNA9USP2
SCHEMBL27712656 0.81 NOTUM (0.54) GPR119CHRNA7CHRNA10CHRNA9USP2
Hydrochloric Acid SCHEMBL17557749 0.81 ALDH1A1 (0.60) SMYD3USP2MEN1ALDH1A1HTT
SCHEMBL25629582 0.80 CHRNA7 (0.47) GPR119SMYD3CHRNA7CHRNA10CHRNA9

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
US-6867220-B2 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-15 US disclosed
US-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them SANOFI-AVENTIS (FR) 2003-02-27 US 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-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them CNR1, CORO1C, CBR1 CHRNA7 60/4885HRH3 354/4885ACVR1 1535/4885

“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.