SCHEMBL3138335

SCHEMBL3138335

CC(C)Oc1cc(CN2CCC(N3CC(=O)Nc4cc(OC(=O)O)ccc43)CC2)cc(OC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
GHSR Q92847 9/20 0.39
CHRM3 P20309 3/20 0.37
CHRM2 P08172 2/20 0.37
SSTR5 P35346 1/20 0.37

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
SCHEMBL3098617 0.90 ALDH1A1 (0.41) ALDH1A1GHSRCHRM3CHRM2SSTR5
SCHEMBL3136029 0.84 SSTR5 (0.44) SSTR5
SCHEMBL3136054 0.84 SSTR5 (0.41) GHSRCHRM3CHRM2SSTR5
SCHEMBL3132193 0.84 SSTR5 (0.39) ALDH1A1CHRM3CHRM2SSTR5
SCHEMBL3142488 0.82 SSTR5 (0.43) ALDH1A1SSTR5
SCHEMBL3138725 0.81 MEN1 (0.39) ALDH1A1CHRM3CHRM2SSTR5
SCHEMBL3137220 0.81 SSTR5 (0.38) GHSRCHRM3CHRM2SSTR5
SCHEMBL3130637 0.81 SSTR5 (0.44) ALDH1A1CHRM3CHRM2SSTR5
SCHEMBL3138164 0.80 SSTR5 (0.56) SSTR5
SCHEMBL3138780 0.79 PDE4B (0.41) ALDH1A1CHRM3CHRM2SSTR5

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