SCHEMBL3135577

SCHEMBL3135577

CCOc1cc(CN2CCC(n3nnc4cc(OC(=O)O)ccc43)CC2)cc(OCC)c1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 1/20 0.48
SSTR5 P35346 6/20 0.47
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GLA P06280 1/20 0.44
KDM4E B2RXH2 2/20 0.44
UBE2N P61088 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL3138171 0.92 ALDH1A1 (0.51) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3141833 0.91 ALOX15 (0.50) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3128237 0.91 ALDH1A1 (0.49) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3138799 0.89 MAPT (0.52) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3125839 0.89 MAPK1 (0.52) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3138758 0.89 SSTR5 (0.49) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3136065 0.88 ALOX15 (0.47) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3094039 0.88 SSTR5 (0.57) ALDH1A1ALOX15HSD17B10LMNAHTT
SCHEMBL3137489 0.88 ALDH1A1 (0.46) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3137243 0.87 ALOX15 (0.46) ALDH1A1ALOX15HSD17B10MAPTLMNA

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