SCHEMBL3125839

SCHEMBL3125839

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALPL P05186 1/20 0.46
USP2 O75604 2/20 0.46
LMNA P02545 2/20 0.46
UBE2N P61088 1/20 0.46
SSTR5 P35346 2/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL3127630 0.93 MAPK1 (0.51) MAPK1MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL3141633 0.93 MAPK1 (0.51) MAPK1MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL3137891 0.92 MAPK1 (0.51) MAPK1KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL3137243 0.92 ALOX15 (0.46) MAPK1ALOX15HSD17B10MAPTKDM4E
SCHEMBL3135556 0.91 ALOX15 (0.46) MAPK1ALOX15HSD17B10MAPTKDM4E
SCHEMBL3134666 0.90 MAPK1 (0.49) MAPK1ALDH1A1SMN1; SMN2NPSR1ALPL
SCHEMBL3133939 0.90 ALOX15 (0.45) MAPK1ALOX15HSD17B10MAPTKDM4E
SCHEMBL3132222 0.90 ALDH1A1 (0.50) MAPK1ALOX15HSD17B10MAPTKDM4E
SCHEMBL3133522 0.90 ALOX15 (0.47) MAPK1ALOX15HSD17B10MAPTKDM4E
SCHEMBL3137489 0.90 ALDH1A1 (0.46) MAPK1ALOX15HSD17B10MAPTKDM4E

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