SCHEMBL3630409

SCHEMBL3630409

CCOc1cc(CN2CCC(n3ccc4[nH]cnc4c3=O)CC2)cc(OCC)c1Br

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 13/20 0.37
KCNH2 Q12809 5/20 0.37
PARP1 P09874 2/20 0.36
SSTR3 P32745 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL3632031 0.91 SSTR5 (0.43) SSTR5KCNH2PARP1SSTR3JAK2
SCHEMBL3628821 0.88 SSTR5 (0.45) SSTR5JAK2JAK1
SCHEMBL3632221 0.87 SSTR5 (0.46) SSTR5KCNH2JAK2JAK1
SCHEMBL3630712 0.86 SSTR5 (0.53) SSTR5KCNH2SSTR3
SCHEMBL3632894 0.86 KDM4E (0.38) SSTR5JAK2JAK1
SCHEMBL3631057 0.85 SSTR5 (0.44) SSTR5JAK2JAK1
SCHEMBL3633056 0.84 SSTR5 (0.36) SSTR5KCNH2SSTR3JAK2JAK1
SCHEMBL3628823 0.84 SSTR5 (0.38) SSTR5JAK2JAK1
SCHEMBL3632530 0.82 SSTR5 (0.33) SSTR5KCNH2PARP1SSTR3
SCHEMBL3627871 0.79 PDE4B (0.47) SSTR5JAK1

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