SCHEMBL9464110

SCHEMBL9464110

CC(C)C1c2ccccc2CN1CC#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.37
OPRM1 P35372 3/20 0.35
OPRL1 P41146 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAPT P10636 2/20 0.35
RGS12 O14924 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
ACE P12821 1/20 0.34
OPRK1 P41145 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR2A P28223 1/20 0.33
ESR1 P03372 1/20 0.32

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 SCHEMBL9463892 0.98 PRCP (0.36) PRCPOPRM1OPRL1SIGMAR1MAPT
SCHEMBL20055229 0.81 PRCP (0.43) PRCPOPRM1SIGMAR1MAPTRGS12
SCHEMBL9463190 0.80 MAPT (0.49) PRCPMAPTRGS12KDM4EMEN1
SCHEMBL9851315 0.80 MAPT (0.49) PRCPMAPTRGS12KDM4EMEN1
SCHEMBL9465105 0.77 MAPT (0.35) PRCPSIGMAR1MAPTRGS12KDM4E
SCHEMBL9463417 0.74 PRCP (0.50) PRCPOPRM1OPRK1SLC6A2SLC6A4
SCHEMBL9463649 0.72 PRCP (0.43) PRCPSLC6A2SLC6A4SLC6A3
SCHEMBL11730138 0.72 SLC6A2 (0.39) PRCPOPRM1SIGMAR1MAPTRGS12
SCHEMBL13464973 0.72 OPRM1 (0.42) PRCPOPRM1MAPTKDM4EMEN1
SCHEMBL1615414 0.72 OPRM1 (0.42) PRCPOPRM1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5264436-A Alpha-adrenoceptors antagonist, hypotensive agents or antidiabetic agents BEECHAM GROUP P.L.C. (GB) 1993-11-23 US disclosed
EP-0275639-B1 N-SUBSTITUTED CYCLIC AMIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1992-07-15 EP disclosed
US-5077299-A Glaucoma, antidepressants, anticoagulants, hypotensive agents BEECHAM GROUP P.L.C. (GB) 1991-12-31 US disclosed
US-4918083-A 4,5 Dihydroimidazole compounds which have useful pharmaceutical utility BEECHAM GROUP P.L.C. (GB) 1990-04-17 US disclosed
EP-0275639-A1 N-substituted cyclic amides, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-07-27 EP disclosed