SCHEMBL3134350

SCHEMBL3134350

CCOc1cc(CN2CCC(n3c(=O)[nH]c4cc(OC(=O)O)ccc43)CC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.48
CHRM1 P11229 1/20 0.47
OPRK1 P41145 2/20 0.46
OPRL1 P41146 1/20 0.46
DRD4 P21917 2/20 0.45
ALDH1A1 P00352 2/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
OPRD1 P41143 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL3124946 0.89 OPRM1 (0.52) OPRM1CHRM1OPRK1OPRL1DRD4
SCHEMBL3089345 0.89 AKT1 (0.49) OPRM1CHRM1OPRK1OPRL1DRD4
SCHEMBL3135124 0.89 OPRM1 (0.49) OPRM1CHRM1OPRK1OPRL1DRD4
SCHEMBL3135581 0.89 OPRM1 (0.49) OPRM1CHRM1OPRK1OPRL1DRD4
SCHEMBL3137914 0.89 OPRM1 (0.53) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL3134979 0.89 OPRM1 (0.49) OPRM1CHRM1OPRK1OPRL1DRD4
SCHEMBL3138400 0.87 OPRM1 (0.54) OPRM1CHRM1OPRK1OPRL1DRD4
SCHEMBL3131134 0.87 OPRM1 (0.52) OPRM1CHRM1OPRK1OPRL1DRD4
SCHEMBL3128312 0.86 OPRM1 (0.47) OPRM1CHRM1OPRK1OPRL1DRD4
SCHEMBL3134610 0.86 OPRM1 (0.50) OPRM1CHRM1OPRK1OPRL1ALDH1A1

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