SCHEMBL3631979

SCHEMBL3631979

COc1ccc(CN2CCC(n3ccc4[nH]cnc4c3=O)CC2)cc1OCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.46
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
JAK2 O60674 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MCHR1 Q99705 1/20 0.37
HTR7 P34969 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
SCHEMBL3627871 0.87 PDE4B (0.47) SSTR5JAK1JAK3PDE4APDE4B
SCHEMBL3632894 0.85 KDM4E (0.38) SSTR5NPSR1KDM4EKMT2AJAK1
SCHEMBL3628823 0.82 SSTR5 (0.38) SSTR5NPSR1KDM4EKMT2AJAK1
SCHEMBL3633056 0.82 SSTR5 (0.36) SSTR5NPSR1KDM4EKMT2AJAK1
SCHEMBL3631057 0.81 SSTR5 (0.44) SSTR5NPSR1KDM4EKMT2AJAK1
SCHEMBL3628821 0.81 SSTR5 (0.45) SSTR5KDM4EJAK1JAK2
SCHEMBL3632221 0.80 SSTR5 (0.46) SSTR5KDM4EMEN1KMT2AJAK1
SCHEMBL3104482 0.78 SSTR5 (0.48) SSTR5NPSR1KDM4EMEN1TP53
SCHEMBL3630409 0.78 SSTR5 (0.37) SSTR5JAK1JAK2
SCHEMBL3632031 0.78 SSTR5 (0.43) SSTR5MEN1KMT2AJAK1JAK2

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