Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9874525

COc1cc2cnn(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)c(=O)c2cc1OC.Cl

nearest known ligand 0.50

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
▸ HTR2A known ✓ P28223 7/20 0.50
▸ HTR2C known ✓ P28335 4/20 0.50
▸ DRD2 known ✓ P14416 2/20 0.50
▸ HTR7 known ✓ P34969 2/20 0.47
▸ HTR6 known ✓ P50406 2/20 0.47
▸ HTR1A known ✓ P08908 1/20 0.46
▸ ADRA2B known ✓ P18089 1/20 0.46
▸ ADRA2C known ✓ P18825 1/20 0.46
▸ DRD1 known ✓ P21728 1/20 0.46
▸ DRD4 known ✓ P21917 1/20 0.46
▸ HTR1D known ✓ P28221 1/20 0.46
▸ HTR1B known ✓ P28222 1/20 0.46
▸ SLC6A4 known ✓ P31645 1/20 0.46
▸ ADRA1A known ✓ P35348 1/20 0.46
▸ HRH1 known ✓ P35367 1/20 0.46
▸ DRD3 known ✓ P35462 1/20 0.46
▸ HTR2B known ✓ P41595 1/20 0.46
▸ HTR5A known ✓ P47898 1/20 0.46
▸ SLC6A3 known ✓ Q01959 1/20 0.46
▸ SLC18A2 known ✓ Q05940 1/20 0.46

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
SCHEMBL9872917 0.99 HTR2A (0.51) HTR2AHTR2CDRD2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL9874057 0.95 HTR2A (0.49) HTR2AHTR2CDRD2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL9874345 0.83 HTR2A (0.46) HTR2AHTR2CDRD2CYP2D6HTR7
Hydrochloric Acid SCHEMBL9874132 0.83 HTR2A (0.57) HTR2AHTR2CDRD2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL9872277 0.81 HSD11B1 (0.49) HTR2AHTR2CDRD2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL9875514 0.78 SSTR5 (0.51) DRD2KMT2AALDH1A1HPGDDRD4
Hydrochloric Acid SCHEMBL9872598 0.76 THRB (0.54) MEN1KMT2AALDH1A1SLC6A4
Hydrochloric Acid SCHEMBL9366460 0.76 HSD11B1 (0.49) HTR2AHTR2CDRD2CYP2C19CYP2D6
SCHEMBL10642471 0.74 HSD11B1 (0.50) HTR2AHTR2CDRD2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL9362999 0.74 HTR2A (0.71) HTR2AHTR2CDRD2CYP2C19CYP2D6

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-4983606-A Pharmaceutically-active phthalazine compounds ZAMBON GROUP S.P.A. (IT) 1991-01-08 — — US disclosed
Send feedback