SCHEMBL8102429

SCHEMBL8102429

CCOC(=O)CN1CCC(=Cc2ccc(C(C)NC(=O)CC(=O)Nc3ccc(C(=N)N)cc3)cc2-c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F7 P08709 18/20 0.41
F2 P00734 11/20 0.41
F10 P00742 2/20 0.41
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL860456 0.83 F7 (0.41) F7F2F10ITGB3ITGA2B
SCHEMBL861396 0.77 F10 (0.39) F7F2F10ITGB3ITGA2B
SCHEMBL860992 0.75 F7 (0.43) F7F2F10
SCHEMBL8102477 0.74 ITGB3 (0.42) F7F2F10ITGB3ITGA2B
SCHEMBL860491 0.74 F7 (0.46) F7F2F10ITGB3ITGA2B
SCHEMBL860983 0.72 F7 (0.39) F7F2F10ITGB3ITGA2B
SCHEMBL860708 0.71 F7 (0.50) F7F2F10
SCHEMBL14647037 0.70 F7 (0.51) F7F2F10
SCHEMBL860995 0.70 F7 (0.52) F7F2F10
SCHEMBL860524 0.69 F7 (0.40) F7F2F10ITGB3ITGA2B

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
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 WO disclosed