SCHEMBL3632031

SCHEMBL3632031

CCOc1cc(CN2CCC(n3ccc4[nH]cnc4c3=O)CC2)cc(OCC)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.43
SSTR1 P30872 2/20 0.41
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
PARP1 P09874 1/20 0.36
KCNH2 Q12809 2/20 0.36
SSTR3 P32745 1/20 0.36
HRH1 P35367 2/20 0.36
DRD4 P21917 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
POLB P06746 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR2B P41595 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL3632221 0.91 SSTR5 (0.46) SSTR5SSTR1JAK2JAK1KCNH2
SCHEMBL3630409 0.91 SSTR5 (0.37) SSTR5JAK2JAK1PARP1KCNH2
SCHEMBL3628821 0.88 SSTR5 (0.45) SSTR5SSTR1JAK2JAK1HRH1
SCHEMBL3630712 0.86 SSTR5 (0.53) SSTR5KCNH2SSTR3
SCHEMBL3632894 0.86 KDM4E (0.38) SSTR5JAK2JAK1HRH1HTR2B
SCHEMBL3631057 0.85 SSTR5 (0.44) SSTR5JAK2JAK1HRH1HTR2B
SCHEMBL3633056 0.84 SSTR5 (0.36) SSTR5JAK2JAK1KCNH2SSTR3
SCHEMBL3628823 0.84 SSTR5 (0.38) SSTR5JAK2JAK1HRH1DRD4
SCHEMBL3632530 0.82 SSTR5 (0.33) SSTR5PARP1KCNH2SSTR3MEN1
SCHEMBL3627871 0.79 PDE4B (0.47) SSTR5JAK1POLB

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