SCHEMBL8106885

SCHEMBL8106885

Bc1cc(C(C)NC(=O)CC(=O)Nc2ccc(C(=N)N)cc2)ccc1C(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 0.55
F2 P00734 14/20 0.55
F10 P00742 3/20 0.48

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
SCHEMBL860248 0.90 F7 (0.62) F7F2F10
SCHEMBL860650 0.88 F7 (0.63) F7F2F10
Trifluoroacetic Acid SCHEMBL841562 0.85 F7 (0.56) F7F2F10
SCHEMBL14647035 0.80 F7 (0.54) F7F2F10
SCHEMBL860399 0.79 F7 (0.50) F7F2F10
SCHEMBL860543 0.78 F7 (0.53) F7F2F10
SCHEMBL861055 0.78 F7 (0.53) F7F2F10
SCHEMBL860275 0.78 F2 (0.60) F7F2
SCHEMBL861106 0.77 F7 (0.60) F7F2F10
SCHEMBL861298 0.77 F7 (0.60) F7F2F10

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