Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9873522

Cl.NC(CCCSc1ccc2ccccc2c1)c1ccc(F)cc1

nearest known ligand 0.73

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
SLC6A2 known ✓ P23975 2/20 0.36
SLC6A4 known ✓ P31645 2/20 0.36
SLC6A3 known ✓ Q01959 2/20 0.36
HTR1A known ✓ P08908 1/20 0.36
DRD2 known ✓ P14416 1/20 0.36
HTR2A known ✓ P28223 1/20 0.36
HTR7 known ✓ P34969 1/20 0.36
DRD3 known ✓ P35462 1/20 0.36
HTR2B known ✓ P41595 1/20 0.36
HDAC3 known ✓ O15379 1/20 0.35
HDAC4 known ✓ P56524 1/20 0.35
HDAC1 known ✓ Q13547 1/20 0.35
HDAC7 known ✓ Q8WUI4 1/20 0.35
HDAC2 known ✓ Q92769 1/20 0.35
HDAC10 known ✓ Q969S8 1/20 0.35
HDAC11 known ✓ Q96DB2 1/20 0.35
HDAC8 known ✓ Q9BY41 1/20 0.35
HDAC6 known ✓ Q9UBN7 1/20 0.35
HDAC9 known ✓ Q9UKV0 1/20 0.35
HDAC5 known ✓ Q9UQL6 1/20 0.35

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 SCHEMBL9872627 0.86 HTR1A (0.39) SLC6A4HTR1ADRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL9873515 0.85 ALDH1A1 (0.41) SLC6A3HTR1ADRD2HTR2AHTR7
SCHEMBL9871835 0.83 ALDH1A1 (0.42) SLC6A3HTR1ADRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL9873038 0.81 CYP19A1 (0.35) SLC2A1
Hydrochloric Acid SCHEMBL9873828 0.80 HTR1A (0.46) SLC6A2SLC6A4SLC6A3HTR1ADRD2
Hydrochloric Acid SCHEMBL9871681 0.80 ALDH1A1 (0.43) SLC6A4HTR1ADRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL9872919 0.80 SLC2A1 (0.40) SLC6A3HTR1ADRD2HTR2AHTR7
SCHEMBL9873354 0.78 ALDH1A1 (0.44) SLC6A4DRD2DRD3SLC2A1
Hydrochloric Acid SCHEMBL9871329 0.77 DPP4 (0.40) CYP1A2CYP3A4SLC6A3HTR1ADRD2
Hydrochloric Acid SCHEMBL9871969 0.76 ALDH1A1 (0.38) CYP1A2CYP3A4HTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039706-A Antiinflammatory, antiallergenic agent DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-08-13 US disclosed