SCHEMBL3130637

SCHEMBL3130637

CCOc1cc(CN2CCC(N3CC(=O)Nc4cc(OC(=O)O)ccc43)CC2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.44
HRH1 P35367 2/20 0.44
SSTR1 P30872 1/20 0.44
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2B P41595 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCR8 P51685 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL3136054 0.92 SSTR5 (0.41) SSTR5SSTR1KCNH2CHRM2CHRM3
SCHEMBL3086973 0.89 SSTR5 (0.53) SSTR5HRH1SSTR1KCNH2KDM4E
SCHEMBL3132193 0.89 SSTR5 (0.39) SSTR5KCNH2KDM4EALDH1A1CHRM2
SCHEMBL3136029 0.89 SSTR5 (0.44) SSTR5KCNH2
SCHEMBL3138725 0.88 MEN1 (0.39) SSTR5KCNH2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3142488 0.86 SSTR5 (0.43) SSTR5KCNH2KDM4EALDH1A1TDP1
SCHEMBL3137220 0.86 SSTR5 (0.38) SSTR5HRH1KCNH2CHRM2CHRM3
SCHEMBL3138164 0.84 SSTR5 (0.56) SSTR5KCNH2
SCHEMBL3138780 0.82 PDE4B (0.41) SSTR5KDM4EALDH1A1SMN1; SMN2CHRM2
SCHEMBL3138335 0.81 ALDH1A1 (0.39) SSTR5ALDH1A1CHRM2CHRM3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP claimed