SCHEMBL3627871

SCHEMBL3627871

COc1ccc(CN2CCC(n3ccc4[nH]cnc4c3=O)CC2)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.47
SSTR5 P35346 1/20 0.46
PDE4A P27815 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
POLB P06746 1/20 0.40
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL3631057 0.91 SSTR5 (0.44) PDE4BSSTR5JAK1
SCHEMBL3631979 0.87 SSTR5 (0.46) PDE4BSSTR5PDE4APDE4CPDE4D
SCHEMBL3628821 0.81 SSTR5 (0.45) SSTR5JAK1
SCHEMBL3628823 0.81 SSTR5 (0.38) SSTR5JAK1JAK3
SCHEMBL3632894 0.81 KDM4E (0.38) SSTR5JAK1
SCHEMBL3632221 0.81 SSTR5 (0.46) SSTR5JAK1JAK3
SCHEMBL3633056 0.80 SSTR5 (0.36) SSTR5JAK1
SCHEMBL3094207 0.79 SSTR5 (0.47) PDE4BSSTR5PDE4APDE4CPDE4D
SCHEMBL3630409 0.79 SSTR5 (0.37) SSTR5JAK1
SCHEMBL3632031 0.79 SSTR5 (0.43) SSTR5POLBJAK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142528-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. Hoffmann-Roche AG (CH) 2010-01-13 EP claimed
WO-2008122510-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO claimed
EP-2142528-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. Hoffmann-Roche AG (CH) 2010-01-13 EP disclosed
WO-2008122510-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO disclosed