Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11865635

CCC(CC)C(Cc1c(CCN(C)C)[nH]c2ccccc12)(C(=O)O)C(=O)O.Cl

nearest known ligand 0.47

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
▸ HTR6 known ✓ P50406 4/20 0.47
▸ HTR1A known ✓ P08908 2/20 0.47
▸ HTR1B known ✓ P28222 2/20 0.47
▸ HTR7 known ✓ P34969 2/20 0.47
▸ DRD2 known ✓ P14416 2/20 0.47
▸ DRD4 known ✓ P21917 1/20 0.47
▸ HTR1D known ✓ P28221 1/20 0.47
▸ HTR1F known ✓ P30939 1/20 0.47
▸ DRD3 known ✓ P35462 1/20 0.47
▸ HTR2A known ✓ P28223 4/20 0.45
▸ HTR2C known ✓ P28335 4/20 0.45
▸ ADRA2A known ✓ P08913 1/20 0.38
▸ ADRA2B known ✓ P18089 1/20 0.38
▸ ADRA2C known ✓ P18825 1/20 0.38
▸ MAOA known ✓ P21397 1/20 0.38
▸ ADRA1D known ✓ P25100 1/20 0.38
▸ CHRNB4 known ✓ P30926 1/20 0.38
▸ CHRNA3 known ✓ P32297 1/20 0.38
▸ ADRA1A known ✓ P35348 1/20 0.38
▸ HRH1 known ✓ P35367 1/20 0.38

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 SCHEMBL11862861 0.83 HTR6 (0.52) HTR6HTR1AHTR1BHTR7DRD2
Hydrochloric Acid SCHEMBL11865622 0.80 HTR6 (0.47) HTR6HTR1AHTR1BHTR7DRD2
SCHEMBL11859742 0.77 HTR6 (0.51) HTR6HTR1AHTR1BHTR7DRD2
Hydrochloric Acid SCHEMBL11865627 0.76 HTR6 (0.57) HTR6HTR1AHTR1BHTR7DRD2
SCHEMBL11863413 0.75 HTR6 (0.44) HTR6HTR1AHTR1BHTR7DRD2
SCHEMBL11863407 0.74 HTR6 (0.55) HTR6HTR1AHTR1BHTR7DRD2
Hydrochloric Acid SCHEMBL11861707 0.73 HTR6 (0.51) HTR6HTR1AHTR1BHTR7DRD2
SCHEMBL11864341 0.73 HTR6 (0.57) HTR6HTR1AHTR1BHTR7DRD2
Hydrochloric Acid SCHEMBL9354400 0.72 HTR6 (0.52) HTR6HTR1AHTR1BHTR7DRD2
SCHEMBL11866647 0.71 HTR6 (0.63) HTR6HTR1AHTR1BHTR7DRD2

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-3931230-A 3-Substituted isotryptamine derivatives and process for their production WARNER-LAMBERT COMPANY (US) 1976-01-06 — — US disclosed
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