SCHEMBL3137243

SCHEMBL3137243

CCOc1cc(CN2CCC(n3nnc4cc(OC(=O)O)ccc43)CC2)ccc1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 5/20 0.44
USP2 O75604 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
SSTR5 P35346 1/20 0.40

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
SCHEMBL3137489 0.94 ALDH1A1 (0.46) ALOX15HSD17B10MAPTALDH1A1LMNA
SCHEMBL3133522 0.94 ALOX15 (0.47) ALOX15HSD17B10MAPTALDH1A1LMNA
SCHEMBL3135556 0.93 ALOX15 (0.46) ALOX15HSD17B10MAPTALDH1A1LMNA
SCHEMBL3125839 0.92 MAPK1 (0.52) ALOX15HSD17B10MAPTALDH1A1LMNA
SCHEMBL3133930 0.90 MAPK1 (0.52) ALDH1A1LMNAUSP2SMN1; SMN2MAPK1
SCHEMBL3089459 0.89 HCAR3 (0.53) ALOX15HSD17B10MAPTALDH1A1LMNA
SCHEMBL3133939 0.89 ALOX15 (0.45) ALOX15HSD17B10MAPTALDH1A1LMNA
SCHEMBL3132222 0.89 ALDH1A1 (0.50) ALOX15HSD17B10MAPTALDH1A1LMNA
SCHEMBL3138171 0.88 ALDH1A1 (0.51) ALOX15HSD17B10MAPTALDH1A1LMNA
SCHEMBL3138758 0.88 SSTR5 (0.49) ALOX15HSD17B10MAPTALDH1A1LMNA

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