SCHEMBL1380646

SCHEMBL1380646

NCCC(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.62
MAPT P10636 2/20 0.50
PTGS2 P35354 1/20 0.49

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
SCHEMBL6179994 0.92 F10 (0.59) F10PTGS2
SCHEMBL6453826 0.86 F10 (0.64) F10PTGS2
SCHEMBL6181035 0.85 F10 (0.60) F10MAPT
SCHEMBL1679321 0.85 F10 (0.65) F10PTGS2
SCHEMBL1381644 0.84 F10 (0.60) F10PTGS2
SCHEMBL1381539 0.84 F10 (0.59) F10PTGS2
SCHEMBL6182831 0.84 F10 (0.59) F10MAPTPTGS2
SCHEMBL1380603 0.84 F10 (0.59) F10PTGS2
SCHEMBL8324993 0.84 F10 (0.59) F10PTGS2
SCHEMBL1379341 0.83 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-1571154-A1 Beta-aminoacid-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP 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-1571154-A1 Beta-aminoacid-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP disclosed