SCHEMBL3134979

SCHEMBL3134979

CCOc1cc(CN2CCC(n3c(=O)[nH]c4cc(OC(=O)O)ccc43)CC2)cc(OCC)c1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.49
CHRM1 P11229 2/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
SSTR5 P35346 1/20 0.45
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
ALDH1A1 P00352 1/20 0.44
DRD4 P21917 1/20 0.44
PLD2 O14939 2/20 0.44
PLD1 Q13393 2/20 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
SCHEMBL3137568 0.92 OPRM1 (0.49) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL3135581 0.92 OPRM1 (0.49) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL3135124 0.92 OPRM1 (0.49) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL3137914 0.92 OPRM1 (0.53) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL3124946 0.91 OPRM1 (0.52) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL3131134 0.90 OPRM1 (0.52) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL3128312 0.89 OPRM1 (0.47) OPRM1CHRM1OPRK1OPRL1SSTR5
SCHEMBL3134610 0.89 OPRM1 (0.50) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL3134350 0.89 OPRM1 (0.48) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL3138400 0.88 OPRM1 (0.54) OPRM1CHRM1OPRK1OPRL1DRD2

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-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP claimed