SCHEMBL3141833

SCHEMBL3141833

CCOc1cc(CN2CCC(n3nnc4cc(OC(=O)O)ccc43)CC2)cc(OCC)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 5/20 0.48
USP2 O75604 2/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALPL P05186 1/20 0.41
UBE2N P61088 1/20 0.41

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
SCHEMBL3128237 0.91 ALDH1A1 (0.49) ALOX15HSD17B10MAPTLMNAUSP2
SCHEMBL3135577 0.91 ALDH1A1 (0.52) ALOX15HSD17B10MAPTLMNAUSP2
SCHEMBL3138799 0.89 MAPT (0.52) ALOX15HSD17B10MAPTLMNAUSP2
SCHEMBL3125839 0.89 MAPK1 (0.52) ALOX15HSD17B10MAPTLMNAUSP2
SCHEMBL3138171 0.89 ALDH1A1 (0.51) ALOX15HSD17B10MAPTLMNAUSP2
SCHEMBL3138758 0.89 SSTR5 (0.49) ALOX15HSD17B10MAPTLMNAUSP2
SCHEMBL3136065 0.88 ALOX15 (0.47) ALOX15HSD17B10MAPTLMNAUSP2
SCHEMBL3098706 0.88 HCAR3 (0.56) ALOX15HSD17B10MAPTLMNAUSP2
SCHEMBL3137243 0.87 ALOX15 (0.46) ALOX15HSD17B10MAPTLMNAUSP2
SCHEMBL3135556 0.87 ALOX15 (0.46) ALOX15HSD17B10MAPTLMNAUSP2

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