SCHEMBL3128237

SCHEMBL3128237

CCOc1cc(CN2CCC(n3nnc4cc(OC(=O)O)ccc43)CC2)cc(OCC)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 4/20 0.46
USP2 O75604 3/20 0.46
SSTR5 P35346 2/20 0.46
SSTR1 P30872 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ALPL P05186 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.42
CHRM4 P08173 1/20 0.42

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
SCHEMBL3138758 0.92 SSTR5 (0.49) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3135577 0.91 ALDH1A1 (0.52) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3141833 0.91 ALOX15 (0.50) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3138799 0.89 MAPT (0.52) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3125839 0.89 MAPK1 (0.52) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3138171 0.89 ALDH1A1 (0.51) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3136065 0.88 ALOX15 (0.47) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3093266 0.88 SSTR5 (0.59) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3137243 0.87 ALOX15 (0.46) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3135556 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