SCHEMBL8917809

SCHEMBL8917809

N=C(N)c1ccc(NC(=O)NCC(=O)NC(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F7 P08709 17/20 0.69
F2 P00734 9/20 0.66
F10 P00742 3/20 0.60
ITGB3 P05106 3/20 0.58
ITGA2B P08514 3/20 0.58

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
SCHEMBL8628345 0.85 F7 (0.76) F7F2F10ITGB3ITGA2B
SCHEMBL7345475 0.83 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL4426386 0.82 F7 (0.64) F7F2F10ITGB3ITGA2B
SCHEMBL7381831 0.82 F7 (0.62) F7F2F10ITGB3ITGA2B
SCHEMBL4419447 0.81 F7 (1.00) F7F2F10
SCHEMBL235788 0.80 F7 (1.00) F7F2F10
SCHEMBL13936352 0.80 F7 (1.00) F7F2F10
SCHEMBL7379448 0.79 ITGB3 (0.74) F7F2F10ITGB3ITGA2B
SCHEMBL9389691 0.79 ITGB3 (0.77) F7F2F10ITGB3ITGA2B
SCHEMBL7385792 0.79 ITGB3 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624956-A Urea derivatives useful as platelet aggregation inhibitors THE MONSANTO COMPANY (US) 1997-04-29 US claimed
WO-1994017041-A1 AMIDINOPHENYL SUBSTITUTED UREA, THIOUREA OR GUANIDINO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-04 WO claimed
US-5624956-A Urea derivatives useful as platelet aggregation inhibitors THE MONSANTO COMPANY (US) 1997-04-29 US disclosed
US-5475025-A Urea derivatives useful as platelet aggregation inhibitors THE MONSANTO COMPANY (US) 1995-12-12 US disclosed