SCHEMBL1380098

SCHEMBL1380098

CC(C)CCC(=O)Nc1ccc(N2CCOCC2=O)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.53
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
LDHA P00338 1/20 0.42
LDHB P07195 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
SCHEMBL1379885 0.89 F10 (0.56) F10
SCHEMBL1376448 0.87 RAB9A (0.52) F10L3MBTL1NPC1RAB9AMAPT
SCHEMBL1377310 0.86 F10 (0.61) F10L3MBTL1NPC1RAB9AMAPT
SCHEMBL15546651 0.85 F10 (0.54) F10L3MBTL1NPC1RAB9AMAPT
SCHEMBL1380603 0.83 F10 (0.59) F10
SCHEMBL5629061 0.80 F10 (0.54) F10L3MBTL1
SCHEMBL5629077 0.80 F10 (0.56) F10
SCHEMBL5628607 0.80 F10 (0.54) F10L3MBTL1
SCHEMBL5628624 0.80 F10 (0.56) F10
SCHEMBL5625557 0.80 F10 (0.55) F10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4732757-B2 2011-07-27 JP claimed
JP-2006512321-A 2006-04-13 JP claimed
EP-1562939-A1 CARBOXAMIDES MERCK PATENT GmbH (DE) 2005-08-17 EP claimed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO claimed
EP-1562939-A1 CARBOXAMIDES MERCK PATENT GmbH (DE) 2005-08-17 EP disclosed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO disclosed