Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8697332

CCc1cc(NCCCN2CCOCC2)nc2ccccc12.Cl.Cl

nearest known ligand 0.64

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
GAA known ✓ P10253 2/20 0.64
GLA known ✓ P06280 1/20 0.64
HRH3 known ✓ Q9Y5N1 1/20 0.53
BCHE known ✓ P06276 3/20 0.50
ACHE known ✓ P22303 3/20 0.50
KDM4E B2RXH2 3/20 0.64
POLB P06746 2/20 0.64
KMT2A Q03164 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
NPC1 O15118 1/20 0.64
LMNA P02545 1/20 0.64
RAD52 P43351 1/20 0.64
RAB9A P51151 1/20 0.64
ACP1 P24666 2/20 0.59
MAPK1 P28482 2/20 0.57
TSHR P16473 2/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPT P10636 3/20 0.56
MEN1 O00255 1/20 0.55

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
SCHEMBL8694671 0.99 KDM4E (0.65) KDM4EPOLBKMT2ANPSR1GAA
SCHEMBL8694610 0.86 KDM4E (0.67) KDM4EPOLBKMT2ANPSR1GAA
SCHEMBL8692258 0.83 KDM4E (0.62) KDM4EPOLBKMT2ANPSR1GAA
Hydrochloric Acid SCHEMBL8694856 0.80 KDM4E (0.58) KDM4EPOLBKMT2ANPSR1GAA
SCHEMBL8691758 0.79 CHRM1 (0.63) KDM4EPOLBKMT2ANPSR1GAA
SCHEMBL8695397 0.79 KDM4E (0.59) KDM4EPOLBKMT2ANPSR1GAA
Hydrochloric Acid SCHEMBL8692152 0.79 NPSR1 (0.62) KDM4EPOLBKMT2ANPSR1GAA
SCHEMBL4726553 0.78 NPSR1 (1.00) KDM4EPOLBKMT2ANPSR1GAA
SCHEMBL8695046 0.77 NPSR1 (0.63) KDM4EPOLBKMT2ANPSR1GAA
SCHEMBL16009230 0.77 ACP1 (0.60) KDM4EPOLBKMT2ANPSR1GAA

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
US-5770734-A N-substituted-2-aminoquinolines useful for treating hypofunction of the cholinergic system AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-23 US disclosed
US-5149815-A Anticholirergic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed
US-5093333-A N-substituted-2-aminoquinolines useful for treating hypofunction of the cholinergic system AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-03 US disclosed