SCHEMBL9563646

SCHEMBL9563646

CCC(N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)C1(C)Cc2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.44
OPRK1 P41145 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CNR1 P21554 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
CACNA1B Q00975 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL9296206 0.87 CYP2C19 (0.36) CHRM2OPRK1LMNAHTTADORA3
SCHEMBL9563644 0.80 CPT1B (0.47) CHRM2OPRK1LMNAHTTADORA3
SCHEMBL8541237 0.75 CYP2C19 (0.43) CHRM2OPRK1LMNAHTTADORA3
SCHEMBL9297113 0.72 CHRM2 (0.45) CHRM2OPRK1LMNAHTTADORA3
SCHEMBL28298203 0.69 CHRM2 (0.79) CHRM2OPRK1LMNAHTTADORA3
SCHEMBL30591064 0.68 CHRM2 (0.64) CHRM2OPRK1LMNAHTTADORA3
SCHEMBL21173512 0.68 CHRM2 (0.67) CHRM2OPRK1LMNAHTTADORA3
SCHEMBL10346385 0.68 CHRM2 (0.45) CHRM2OPRK1LMNAHTTADORA3
SCHEMBL10346640 0.68 CYP2C19 (0.50) CHRM2OPRK1LMNAHTTCYP2C19
SCHEMBL10346941 0.67 CYP2C19 (0.53) CHRM2OPRK1HTTCYP2C19CYP1A2

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
EP-0533579-A1 Trimetazidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-03-24 EP disclosed