SCHEMBL3130735

SCHEMBL3130735

CCOc1cc(CN2CCC(n3c(=O)[nH]c4cc(OC(=O)O)ccc43)CC2)ccc1OCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.47
CHRM1 P11229 1/20 0.44
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
KDM4E B2RXH2 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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 0.94 OPRM1 (0.52) OPRM1CHRM1OPRK1OPRL1BCHE
SCHEMBL3142452 0.93 OPRM1 (0.51) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL3137562 0.92 OPRM1 (0.48) OPRM1CHRM1OPRK1OPRL1BCHE
SCHEMBL3138400 0.91 OPRM1 (0.54) OPRM1CHRM1OPRK1OPRL1KDM4E
SCHEMBL3137583 0.89 OPRM1 (0.47) OPRM1CHRM1OPRK1OPRL1BCHE
SCHEMBL3132135 0.89 OPRM1 (0.51) OPRM1CHRM1OPRK1OPRL1BCHE
SCHEMBL3125870 0.89 OPRM1 (0.47) OPRM1CHRM1OPRK1OPRL1BCHE
SCHEMBL3104314 0.89 AKT1 (0.48) OPRM1CHRM1OPRK1OPRL1
SCHEMBL3132392 0.89 OPRM1 (0.46) OPRM1CHRM1OPRK1OPRL1KDM4E
SCHEMBL3125864 0.88 OPRM1 (0.47) OPRM1CHRM1OPRK1OPRL1BCHE

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