SCHEMBL3134666

SCHEMBL3134666

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALPL P05186 1/20 0.43
UBE2N P61088 1/20 0.43
USP2 O75604 2/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.40
MCHR1 Q99705 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
SCHEMBL3130756 0.93 ALOX15 (0.44) MAPK1ALDH1A1NPSR1SMN1; SMN2USP2
SCHEMBL3125839 0.90 MAPK1 (0.52) MAPK1ALDH1A1NPSR1SMN1; SMN2ALPL
SCHEMBL3098059 0.89 HCAR3 (0.52) MAPK1ALDH1A1NPSR1SMN1; SMN2ALPL
SCHEMBL3137891 0.89 MAPK1 (0.51) MAPK1ALDH1A1NPSR1SMN1; SMN2ALPL
SCHEMBL3127630 0.89 MAPK1 (0.51) MAPK1ALDH1A1NPSR1SMN1; SMN2ALPL
SCHEMBL3141633 0.89 MAPK1 (0.51) MAPK1ALDH1A1NPSR1SMN1; SMN2ALPL
SCHEMBL3133930 0.87 MAPK1 (0.52) MAPK1ALDH1A1NPSR1SMN1; SMN2ALPL
SCHEMBL3132297 0.85 MAPK1 (0.51) MAPK1ALDH1A1NPSR1SMN1; SMN2ALPL
SCHEMBL3137243 0.82 ALOX15 (0.46) MAPK1ALDH1A1NPSR1SMN1; SMN2USP2
SCHEMBL3135556 0.82 ALOX15 (0.46) MAPK1ALDH1A1NPSR1SMN1; SMN2USP2

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