SCHEMBL3125870

SCHEMBL3125870

CCOc1cc(CN2CCC(n3c(=O)[nH]c4cc(OC(=O)O)ccc43)CC2)ccc1OC(CC)CC

nearest known ligand 0.47

Predicted protein targets (top 14)

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
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
DRD4 P21917 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 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
SCHEMBL3137562 0.94 OPRM1 (0.48) OPRM1CHRM1OPRK1OPRL1BCHE
SCHEMBL3124946 0.93 OPRM1 (0.52) OPRM1CHRM1OPRK1OPRL1BCHE
SCHEMBL3137583 0.92 OPRM1 (0.47) OPRM1CHRM1OPRK1OPRL1BCHE
SCHEMBL3138400 0.91 OPRM1 (0.54) OPRM1CHRM1OPRK1OPRL1ALDH1A1
SCHEMBL3130735 0.89 OPRM1 (0.47) OPRM1CHRM1OPRK1OPRL1BCHE
SCHEMBL3093853 0.89 AKT1 (0.48) OPRM1CHRM1OPRK1OPRL1
SCHEMBL3125864 0.88 OPRM1 (0.47) OPRM1CHRM1OPRK1OPRL1BCHE
SCHEMBL3134610 0.88 OPRM1 (0.50) OPRM1CHRM1OPRK1OPRL1ALDH1A1
SCHEMBL3132135 0.88 OPRM1 (0.51) OPRM1CHRM1OPRK1OPRL1BCHE
SCHEMBL3137568 0.87 OPRM1 (0.49) 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