SCHEMBL3142452

SCHEMBL3142452

COc1ccc(CN2CCC(n3c(=O)[nH]c4cc(OC(=O)O)ccc43)CC2)cc1OCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.51
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 2/20 0.45
CHRM1 P11229 1/20 0.44
OPRK1 P41145 2/20 0.44
OPRD1 P41143 1/20 0.44
OPRL1 P41146 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3130735 0.93 OPRM1 (0.47) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3138400 0.91 OPRM1 (0.54) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3125828 0.90 OPRM1 (0.52) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3141595 0.90 OPRM1 (0.52) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3133946 0.89 OPRM1 (0.51) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3097951 0.89 AKT1 (0.49) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3134424 0.87 OPRM1 (0.53) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3124946 0.87 OPRM1 (0.52) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3137562 0.87 OPRM1 (0.48) OPRM1DRD2DRD3CHRM1OPRK1
SCHEMBL3125870 0.84 OPRM1 (0.47) OPRM1DRD2DRD4DRD3CHRM1

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