SCHEMBL3633056

SCHEMBL3633056

CCOc1cc(CN2CCC(n3ccc4[nH]cnc4c3=O)CC2)ccc1OC(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
SSTR3 P32745 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
CCR5 P51681 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
SCHEMBL3632894 0.93 KDM4E (0.38) SSTR5KDM4EALDH1A1KMT2AHRH1
SCHEMBL3628823 0.92 SSTR5 (0.38) SSTR5KDM4EALDH1A1KMT2AHRH1
SCHEMBL3631057 0.87 SSTR5 (0.44) SSTR5KDM4EALDH1A1KMT2AHRH1
SCHEMBL3628821 0.87 SSTR5 (0.45) SSTR5KDM4EALDH1A1HRH1JAK2
SCHEMBL3632221 0.86 SSTR5 (0.46) SSTR5KDM4EALDH1A1KMT2AHRH1
SCHEMBL3632031 0.84 SSTR5 (0.43) SSTR5KMT2AHRH1HTR2BSSTR3
SCHEMBL3630409 0.84 SSTR5 (0.37) SSTR5SSTR3KCNH2JAK2JAK1
SCHEMBL3631979 0.82 SSTR5 (0.46) SSTR5KDM4EKMT2ANPSR1JAK2
SCHEMBL3630712 0.82 SSTR5 (0.53) SSTR5SSTR3KCNH2
SCHEMBL3627871 0.80 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 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