SCHEMBL3137220

SCHEMBL3137220

CCOc1cc(CN2CCC(N3CC(=O)Nc4cc(OC(=O)O)ccc43)CC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRM3 P20309 2/20 0.35
CHRM2 P08172 1/20 0.35
GHSR Q92847 3/20 0.35
PARP1 P09874 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34

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
SCHEMBL3094183 0.89 MEN1 (0.42) SSTR5HRH1KCNH2MEN1KMT2A
SCHEMBL3136029 0.89 SSTR5 (0.44) SSTR5KCNH2
SCHEMBL3132193 0.89 SSTR5 (0.39) SSTR5KCNH2MEN1KMT2ACHRM3
SCHEMBL3136054 0.89 SSTR5 (0.41) SSTR5KCNH2MEN1KMT2ACHRM3
SCHEMBL3142488 0.87 SSTR5 (0.43) SSTR5KCNH2MEN1KMT2APARP1
SCHEMBL3130637 0.86 SSTR5 (0.44) SSTR5HRH1KCNH2MEN1KMT2A
SCHEMBL3138164 0.85 SSTR5 (0.56) SSTR5KCNH2
SCHEMBL3138725 0.85 MEN1 (0.39) SSTR5KCNH2MEN1KMT2ACHRM3
SCHEMBL3138335 0.81 ALDH1A1 (0.39) SSTR5CHRM3CHRM2GHSR
SCHEMBL3134350 0.79 OPRM1 (0.48) OPRM1OPRD1OPRK1

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