Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9872277

Cl.O=C(c1ccc(F)cc1)C1CCN(CCn2ncc3ccc([N+](=O)[O-])cc3c2=O)CC1

nearest known ligand 0.49

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
▸ HSD11B1 known ✓ P28845 2/20 0.49
▸ HTR2A known ✓ P28223 8/20 0.47
▸ HTR2C known ✓ P28335 4/20 0.45
▸ HTR7 known ✓ P34969 2/20 0.45
▸ HTR6 known ✓ P50406 2/20 0.45
▸ HTR1A known ✓ P08908 2/20 0.45
▸ DRD2 known ✓ P14416 2/20 0.45
▸ ADRA2B known ✓ P18089 1/20 0.45
▸ ADRA2C known ✓ P18825 1/20 0.45
▸ DRD1 known ✓ P21728 1/20 0.45
▸ DRD4 known ✓ P21917 1/20 0.45
▸ HTR1D known ✓ P28221 1/20 0.45
▸ HTR1B known ✓ P28222 1/20 0.45
▸ SLC6A4 known ✓ P31645 1/20 0.45
▸ ADRA1A known ✓ P35348 1/20 0.45
▸ HRH1 known ✓ P35367 1/20 0.45
▸ DRD3 known ✓ P35462 1/20 0.45
▸ HTR2B known ✓ P41595 1/20 0.45
▸ HTR5A known ✓ P47898 1/20 0.45
▸ SLC6A3 known ✓ Q01959 1/20 0.45

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 SCHEMBL9874132 0.84 HTR2A (0.57) HTR2AHTR2CHTR7HTR6MEN1
Hydrochloric Acid SCHEMBL9874525 0.81 HTR2A (0.50) HTR2AHTR2CHTR7HTR6MEN1
SCHEMBL9872917 0.80 HTR2A (0.51) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL9672540 0.77 HTR2A (0.71) HSD11B1HTR2AHTR2CHTR7HTR6
Hydrochloric Acid SCHEMBL9874057 0.76 HTR2A (0.49) HTR2AHTR2CHTR7HTR6CYP1A2
SCHEMBL10742478 0.75 HTR2A (0.71) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL9672493 0.73 HTR2A (0.72) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL1582857 0.72 HTR2A (0.70) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL14318600 0.72 HTR2A (0.81) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL10737628 0.72 HTR2A (0.64) HSD11B1HTR2AHTR2CHTR7HTR6

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
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