SCHEMBL9029468

SCHEMBL9029468

N=C(N)c1ccc(N2CCC(NC(=O)NC(CC(=O)OC(=O)C(F)(F)F)NC(=O)OCc3ccccc3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.48
ITGA2B P08514 13/20 0.48
PLG P00747 5/20 0.39
KLKB1 P03952 2/20 0.39
PROC P04070 2/20 0.39
F10 P00742 3/20 0.38
F2 P00734 3/20 0.38
PLAU P00749 3/20 0.38
PLAT P00750 3/20 0.38
KLK8 O60259 2/20 0.38
KLK4 Q9Y5K2 2/20 0.38
CASP1 P29466 1/20 0.37
KLK1 P06870 1/20 0.36
KLK2 P20151 1/20 0.36

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
SCHEMBL8123145 0.86 ITGB3 (0.50) ITGB3ITGA2BPLGKLKB1PROC
SCHEMBL7424541 0.84 ITGB3 (0.51) ITGB3ITGA2BF10F2
SCHEMBL7422015 0.82 ITGB3 (0.56) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8123138 0.82 ITGB3 (0.54) ITGB3ITGA2BPLGKLKB1PROC
Trifluoroacetic Acid SCHEMBL8123141 0.82 ITGB3 (0.54) ITGB3ITGA2BPLGKLKB1PROC
Trifluoroacetic Acid SCHEMBL8124196 0.79 ITGB3 (0.54) ITGB3ITGA2BPLGKLKB1PROC
SCHEMBL8107970 0.79 ITGB3 (0.55) ITGB3ITGA2BPLGF10F2
SCHEMBL8107961 0.79 ITGB3 (0.55) ITGB3ITGA2BPLGF10F2
SCHEMBL7411805 0.77 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL7448817 0.77 ITGB3 (0.73) ITGB3ITGA2B

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-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed