Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7549537

Cl.Clc1nc(Nc2ccccc2)c2ccccc2n1.c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.79

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
PDE5A known ✓ O76074 1/20 0.55
NPY5R Q15761 9/20 0.79
SLC2A1 P11166 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.58
TAAR1 Q96RJ0 3/20 0.58
POLB P06746 1/20 0.58
HTT P42858 1/20 0.58
MAPK1 P28482 3/20 0.57
MEN1 O00255 3/20 0.57
MAPT P10636 3/20 0.57
KMT2A Q03164 3/20 0.57
NFKB1 P19838 2/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56

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
SCHEMBL30960995 0.91 NPY5R (0.66) NPY5RSMN1; SMN2POLBMAPK1MEN1
Hydrochloric Acid SCHEMBL6039677 0.91 NPY5R (0.96) NPY5RSLC2A1SMN1; SMN2TAAR1POLB
SCHEMBL2257238 0.91 NPY5R (0.66) NPY5RSMN1; SMN2POLBMAPK1MEN1
SCHEMBL2591063 0.89 NPY5R (1.00) NPY5RSLC2A1SMN1; SMN2TAAR1POLB
Hydrochloric Acid SCHEMBL8901136 0.88 NPY5R (0.97) NPY5RSLC2A1SMN1; SMN2TAAR1POLB
Hydrochloric Acid SCHEMBL8890165 0.86 NPY5R (0.94) NPY5RSLC2A1SMN1; SMN2TAAR1POLB
SCHEMBL8890555 0.86 NPY5R (1.00) NPY5RSLC2A1TAAR1POLBMEN1
SCHEMBL8892229 0.84 NPY5R (0.97) NPY5RSLC2A1TAAR1POLBMEN1
Hydrochloric Acid SCHEMBL8891614 0.84 NPY5R (0.70) NPY5RSMN1; SMN2TAAR1POLBHTT
Hydrochloric Acid SCHEMBL8900449 0.83 NPY5R (0.81) NPY5RSLC2A1SMN1; SMN2TAAR1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007073-A4 METHODS OF MODIFYING FEEDING BEHAVIOR, COMPOUNDS USEFUL IN SUCH METHODS, AND DNA ENCODING A HYPOTHALAMIC ATYPICAL NEUROPEPTIDE Y/PEPTIDE YY RECEPTOR (Y5) SYNAPTIC PHARMA CORP (US) 2002-03-27 EP disclosed
EP-1007073-A1 METHODS OF MODIFYING FEEDING BEHAVIOR, COMPOUNDS USEFUL IN SUCH METHODS, AND DNA ENCODING A HYPOTHALAMIC ATYPICAL NEUROPEPTIDE Y/PEPTIDE YY RECEPTOR (Y5) SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-06-14 EP disclosed
WO-1997046250-A1 METHODS OF MODIFYING FEEDING BEHAVIOR, COMPOUNDS USEFUL IN SUCH METHODS, AND DNA ENCODING A HYPOTHALAMIC ATYPICAL NEUROPEPTIDE Y/PEPTIDE YY RECEPTOR (Y5) SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-12-11 WO disclosed