SCHEMBL3134424

SCHEMBL3134424

COc1ccc(CN2CCC(n3c(=O)[nH]c4cc(OC(=O)O)ccc43)CC2)cc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.53
DRD2 P14416 4/20 0.46
DRD4 P21917 4/20 0.46
DRD3 P35462 3/20 0.46
CHRM1 P11229 1/20 0.45
OPRK1 P41145 2/20 0.45
OPRL1 P41146 1/20 0.45
OPRD1 P41143 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL3125864 0.91 OPRM1 (0.47) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3138400 0.89 OPRM1 (0.54) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3091503 0.89 OPRM1 (0.50) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3125828 0.88 OPRM1 (0.52) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3141595 0.88 OPRM1 (0.52) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3142452 0.87 OPRM1 (0.51) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3133946 0.87 OPRM1 (0.51) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3124946 0.85 OPRM1 (0.52) OPRM1DRD2DRD4DRD3CHRM1
SCHEMBL3138363 0.83 ALDH1A1 (0.47) SMN1; SMN2
SCHEMBL3134610 0.82 OPRM1 (0.50) OPRM1DRD2DRD3CHRM1OPRK1

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