SCHEMBL3137489

SCHEMBL3137489

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 5/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 4/20 0.43
USP2 O75604 4/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 3/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SSTR5 P35346 1/20 0.40
GAA P10253 1/20 0.40
UBE2N P61088 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
SCHEMBL3137243 0.94 ALOX15 (0.46) ALDH1A1ALOX15HSD17B10HTTSMN1; SMN2
SCHEMBL3133522 0.92 ALOX15 (0.47) ALDH1A1ALOX15HSD17B10HTTSMN1; SMN2
SCHEMBL3125839 0.90 MAPK1 (0.52) ALDH1A1ALOX15HSD17B10HTTSMN1; SMN2
SCHEMBL3135556 0.90 ALOX15 (0.46) ALDH1A1ALOX15HSD17B10HTTSMN1; SMN2
SCHEMBL3133939 0.89 ALOX15 (0.45) ALDH1A1ALOX15HSD17B10HTTSMN1; SMN2
SCHEMBL3089461 0.89 HCAR3 (0.52) ALDH1A1ALOX15HSD17B10HTTSMN1; SMN2
SCHEMBL3138171 0.89 ALDH1A1 (0.51) ALDH1A1ALOX15HSD17B10HTTSMN1; SMN2
SCHEMBL3135577 0.88 ALDH1A1 (0.52) ALDH1A1ALOX15HSD17B10HTTSMN1; SMN2
SCHEMBL3132222 0.87 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10HTTSMN1; SMN2
SCHEMBL3138758 0.87 SSTR5 (0.49) ALDH1A1ALOX15HSD17B10HTTSMN1; SMN2

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