SCHEMBL3631057

SCHEMBL3631057

CCOc1cc(CN2CCC(n3ccc4[nH]cnc4c3=O)CC2)ccc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.44
CCR5 P51681 1/20 0.38
PDE4B Q07343 2/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
PDE3A Q14432 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR1 P21453 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 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
SCHEMBL3627871 0.91 PDE4B (0.47) SSTR5PDE4BJAK1
SCHEMBL3628823 0.89 SSTR5 (0.38) SSTR5HRH1HTR2BALDH1A1KDM4E
SCHEMBL3632894 0.89 KDM4E (0.38) SSTR5CCR5HRH1HTR2BALDH1A1
SCHEMBL3628821 0.88 SSTR5 (0.45) SSTR5CCR5HRH1ALDH1A1KDM4E
SCHEMBL3633056 0.87 SSTR5 (0.36) SSTR5CCR5HRH1HTR2BALDH1A1
SCHEMBL3632221 0.87 SSTR5 (0.46) SSTR5HRH1HTR2BALDH1A1KDM4E
SCHEMBL3630409 0.85 SSTR5 (0.37) SSTR5JAK2JAK1
SCHEMBL3632031 0.85 SSTR5 (0.43) SSTR5HRH1HTR2BKMT2AJAK2
SCHEMBL3631979 0.81 SSTR5 (0.46) SSTR5PDE4BKDM4EKMT2ANPSR1
SCHEMBL3630712 0.81 SSTR5 (0.53) SSTR5

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 2 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