SCHEMBL3132222

SCHEMBL3132222

CCOc1cc(CN2CCC(n3nnc4cc(OC(=O)O)ccc43)CC2)ccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 2/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL3125839 0.90 MAPK1 (0.52) ALDH1A1HSD17B10ALOX15USP2LMNA
SCHEMBL3135556 0.90 ALOX15 (0.46) ALDH1A1HSD17B10ALOX15USP2LMNA
SCHEMBL3137243 0.89 ALOX15 (0.46) ALDH1A1HSD17B10ALOX15USP2LMNA
SCHEMBL3098832 0.89 HCAR3 (0.52) ALDH1A1HSD17B10ALOX15NPC1RAB9A
SCHEMBL3130756 0.88 ALOX15 (0.44) ALDH1A1HSD17B10ALOX15USP2LMNA
SCHEMBL3133939 0.87 ALOX15 (0.45) ALDH1A1HSD17B10ALOX15USP2LMNA
SCHEMBL3133522 0.87 ALOX15 (0.47) ALDH1A1HSD17B10ALOX15USP2LMNA
SCHEMBL3137489 0.87 ALDH1A1 (0.46) ALDH1A1HSD17B10ALOX15USP2LMNA
SCHEMBL3138171 0.87 ALDH1A1 (0.51) ALDH1A1HSD17B10ALOX15USP2LMNA
SCHEMBL3138758 0.87 SSTR5 (0.49) ALDH1A1HSD17B10ALOX15USP2LMNA

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