Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8799339

CCC1Cc2c(N)c(Cl)cc(C(=O)ON3CCCCC3)c2O1.CCC1Cc2c(N)c(Cl)cc(C(=O)ON3CCCCC3)c2O1.Cl.Cl.O

nearest known ligand 0.43

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
HTR3A known ✓ P46098 3/20 0.39
HTR2C known ✓ P28335 2/20 0.39
ADRA2C known ✓ P18825 2/20 0.39
ADRA1A known ✓ P35348 2/20 0.39
ADRA2A known ✓ P08913 1/20 0.39
HTR1D known ✓ P28221 1/20 0.39
HTR2A known ✓ P28223 1/20 0.39
HRH1 known ✓ P35367 1/20 0.39
DRD3 known ✓ P35462 1/20 0.39
HTR2B known ✓ P41595 1/20 0.39
SIGMAR1 known ✓ Q99720 1/20 0.39
HTR4 known ✓ Q13639 6/20 0.39
HTR3E known ✓ A5X5Y0 1/20 0.38
HTR3B known ✓ O95264 1/20 0.38
HTR3D known ✓ Q70Z44 1/20 0.38
HTR3C known ✓ Q8WXA8 1/20 0.38
GLA known ✓ P06280 1/20 0.34
GAA known ✓ P10253 1/20 0.34
HTR1A known ✓ P08908 1/20 0.33
ACHE known ✓ P22303 1/20 0.33

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 SCHEMBL7361291 0.93 HTR2C (0.41) HTR3AHTR2CADRA2CADRA1ALMNA
SCHEMBL7436836 0.78 MAOA (0.35) HTR3AHTR2CADRA2CADRA1AHTR4
Alcohol SCHEMBL8799335 0.78 HTR4 (0.48) HTR3AHTR2CADRA2CADRA1ALMNA
Hydrochloric Acid SCHEMBL7361122 0.74 HTR4 (0.39) HTR3AHTR2CADRA2CADRA1ALMNA
SCHEMBL27360404 0.74 HTR4 (0.50) HTR3AHTR2CADRA2CADRA1ALMNA
SCHEMBL27384092 0.74 HTR4 (0.38) HTR3AHTR2CADRA2CADRA1ALMNA
SCHEMBL7355305 0.73 HTR4 (0.39) HTR3AADRA2CADRA1AHTR4CYP3A4
Hydrochloric Acid SCHEMBL7363354 0.73 HTR4 (0.40) HTR3AHTR2CADRA2CADRA1ALMNA
SCHEMBL7365599 0.71 HTR4 (0.41) HTR3AHTR2CADRA2CADRA1AHTR4
SCHEMBL7432081 0.71 HTR4 (0.41) HTR3AADRA2CADRA1ATHRBHTR4

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
EP-0766680-A1 SUBSTITUTED DIHYDROBENZOFURAN DERIVATIVES AS 5-HT 4 AGONISTS PHARMACIA & UPJOHN S.p.A. (IT) 1997-04-09 EP disclosed