Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7363350

CCC(C1Cc2c(N)c(Cl)cc(C(=O)O)c2O1)N1CCCCC1.Cl

nearest known ligand 0.37

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
SLC6A4 known ✓ P31645 3/20 0.34
SLC6A3 known ✓ Q01959 3/20 0.34
SLC6A2 known ✓ P23975 2/20 0.33
HSD11B1 known ✓ P28845 1/20 0.32
HTR3A known ✓ P46098 4/20 0.32
ADRA2C known ✓ P18825 2/20 0.32
ADRA1A known ✓ P35348 2/20 0.32
HTR2C known ✓ P28335 2/20 0.32
ADRA2A known ✓ P08913 1/20 0.32
HTR1D known ✓ P28221 1/20 0.32
HTR2A known ✓ P28223 1/20 0.32
HRH1 known ✓ P35367 1/20 0.32
DRD3 known ✓ P35462 1/20 0.32
HTR2B known ✓ P41595 1/20 0.32
SIGMAR1 known ✓ Q99720 1/20 0.32
HTR4 known ✓ Q13639 5/20 0.32
HTR3E known ✓ A5X5Y0 2/20 0.31
HTR3B known ✓ O95264 2/20 0.31
HTR3D known ✓ Q70Z44 2/20 0.31
HTR3C known ✓ Q8WXA8 2/20 0.31

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
SCHEMBL7365597 0.99 SLC6A4 (0.34) SLC6A4SLC6A3SLC6A2POLBTSHR
Hydrochloric Acid SCHEMBL7365195 0.86 TSHR (0.34) POLBTSHRHSD11B1LMNAHTR4
SCHEMBL7355302 0.85 TSHR (0.35) POLBTSHRHSD11B1LMNAHTR4
Hydrochloric Acid SCHEMBL7361122 0.74 HTR4 (0.39) HTR3AADRA2CADRA1AHTR2CLMNA
SCHEMBL7436836 0.73 MAOA (0.35) HTR3AADRA2CADRA1AHTR2CHTR4
SCHEMBL7355305 0.73 HTR4 (0.39) HTR3AADRA2CADRA1AHTR4HTR1A
Hydrochloric Acid SCHEMBL7363354 0.73 HTR4 (0.40) HTR3AADRA2CADRA1AHTR2CLMNA
SCHEMBL7430275 0.72 PARP1 (0.49) HSD11B1
SCHEMBL7365599 0.71 HTR4 (0.41) HTR3AADRA2CADRA1AHTR2CHTR4
Hydrochloric Acid SCHEMBL8799339 0.68 HTR3A (0.39) HTR3AADRA2CADRA1AHTR2CLMNA

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
WO-1996033186-A1 SUBSTITUTED DIHYDROBENZOFURAN DERIVATIVES AS 5-HT4 AGONISTS PHARMACIA & UPJOHN S.P.A. (IT) 1996-10-24 WO disclosed