SCHEMBL3138780

SCHEMBL3138780

COc1ccc(CN2CCC(N3CC(=O)Nc4cc(OC(=O)O)ccc43)CC2)cc1OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.41
SSTR5 P35346 1/20 0.40
POLB P06746 1/20 0.40
PDE4A P27815 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL3098676 0.89 POLB (0.46) PDE4BSSTR5POLBPDE4APDE4C
SCHEMBL3138725 0.82 MEN1 (0.39) SSTR5POLBKDM4EALDH1A1LMNA
SCHEMBL3130637 0.82 SSTR5 (0.44) SSTR5KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3132193 0.80 SSTR5 (0.39) SSTR5KDM4EALDH1A1MEN1KMT2A
SCHEMBL3136054 0.80 SSTR5 (0.41) SSTR5MEN1KMT2ACHRM2CHRM3
SCHEMBL3136029 0.80 SSTR5 (0.44) SSTR5
SCHEMBL3138335 0.79 ALDH1A1 (0.39) SSTR5ALDH1A1CHRM2CHRM3
SCHEMBL3134424 0.79 OPRM1 (0.53) SMN1; SMN2
SCHEMBL3142488 0.78 SSTR5 (0.43) SSTR5KDM4EALDH1A1MEN1KMT2A
SCHEMBL3137220 0.78 SSTR5 (0.38) SSTR5MEN1KMT2ACHRM2CHRM3

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