SCHEMBL3138725

SCHEMBL3138725

CCOc1cc(CN2CCC(N3CC(=O)Nc4cc(OC(=O)O)ccc43)CC2)ccc1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 4/20 0.37
POLB P06746 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
SSTR5 P35346 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM3 P20309 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
SCHEMBL3093318 0.89 MEN1 (0.44) MEN1KMT2AKDM4ESSTR5ALDH1A1
SCHEMBL3130637 0.88 SSTR5 (0.44) MEN1KMT2AKDM4ESSTR5ALDH1A1
SCHEMBL3136029 0.87 SSTR5 (0.44) SSTR5KCNH2
SCHEMBL3132193 0.86 SSTR5 (0.39) MEN1KMT2AKDM4ESSTR5ALDH1A1
SCHEMBL3136054 0.86 SSTR5 (0.41) MEN1KMT2ASSTR5KCNH2CHRM2
SCHEMBL3137220 0.85 SSTR5 (0.38) MEN1KMT2ASSTR5KCNH2CHRM2
SCHEMBL3142488 0.84 SSTR5 (0.43) MEN1KMT2AKDM4ESSTR5ALDH1A1
SCHEMBL3138164 0.83 SSTR5 (0.56) SSTR5KCNH2
SCHEMBL3138780 0.82 PDE4B (0.41) MEN1KMT2AKDM4EPOLBSSTR5
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