Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11545929

Cl.O=C(CCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.66

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
DRD2 known ✓ P14416 6/20 0.63
HTR2A known ✓ P28223 4/20 0.63
HTR1A known ✓ P08908 4/20 0.63
DRD3 known ✓ P35462 4/20 0.63
HRH1 known ✓ P35367 3/20 0.63
HTR7 known ✓ P34969 2/20 0.63
HTR2B known ✓ P41595 2/20 0.63
CHRM2 known ✓ P08172 1/20 0.57
ADRA2A known ✓ P08913 1/20 0.57
DRD1 known ✓ P21728 1/20 0.57
ADRA1A known ✓ P35348 1/20 0.57
OPRM1 known ✓ P35372 1/20 0.57
KCNH2 known ✓ Q12809 1/20 0.57
HRH3 known ✓ Q9Y5N1 1/20 0.57
SIGMAR1 known ✓ Q99720 1/20 0.56
HTR2C known ✓ P28335 2/20 0.56
ADRA2C known ✓ P18825 1/20 0.56
DRD4 known ✓ P21917 1/20 0.56
TSHR P16473 1/20 0.63
KDM4E B2RXH2 1/20 0.62

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
SCHEMBL11541244 0.99 DRD2 (0.65) DRD2HTR2AHTR1ADRD3HRH1
SCHEMBL13904313 0.99 DRD2 (0.65) DRD2HTR2AHTR1ADRD3HRH1
Hydrochloric Acid SCHEMBL11543149 0.92 DRD2 (0.63) DRD2HTR2AHTR1ADRD3HRH1
SCHEMBL11545924 0.91 DRD2 (0.64) DRD2HTR2AHTR1ADRD3HRH1
Hydrochloric Acid SCHEMBL11547031 0.88 CYP2J2 (0.57) DRD2HTR2AHTR1ADRD3HRH1
Hydrochloric Acid SCHEMBL11545067 0.85 HTR1A (0.65) DRD2HTR2AHTR1ADRD3HRH1
Hydrochloric Acid SCHEMBL11833697 0.85 CYP2J2 (0.62) DRD2HTR2AHTR1ADRD3HRH1
Hydrochloric Acid SCHEMBL11828383 0.85 CYP2J2 (0.62) DRD2HTR2AHTR1ADRD3HRH1
Hydrochloric Acid SCHEMBL11544185 0.85 CYP2J2 (0.62) DRD2HTR2AHTR1ADRD3HRH1
SCHEMBL11543696 0.83 CYP2J2 (0.63) DRD2HTR2AHTR1ADRD3HRH1

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-4180583-A ANTIHISTAMINES, ANTIALLERGENS AND BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1979-12-25 US disclosed