SCHEMBL7385641

SCHEMBL7385641

CC(NC(=O)Nc1ccc(C(=N)N)cc1)C(=O)NC(CC(=O)O)c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.70
ITGA2B P08514 11/20 0.70
F7 P08709 6/20 0.48
F2 P00734 1/20 0.48
CYP2C9 P11712 1/20 0.46
NAMPT P43490 1/20 0.46
ITGAV P06756 3/20 0.43

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
SCHEMBL7385648 1.00 ITGB3 (0.70) ITGB3ITGA2BF7F2CYP2C9
SCHEMBL7391723 0.91 ITGB3 (0.79) ITGB3ITGA2BF7F2ITGAV
SCHEMBL7387179 0.88 ITGB3 (0.55) ITGB3ITGA2BF7F2CYP2C9
SCHEMBL7387186 0.88 ITGB3 (0.55) ITGB3ITGA2BF7F2CYP2C9
SCHEMBL7385119 0.86 ITGB3 (0.72) ITGB3ITGA2BF7F2CYP2C9
SCHEMBL7387587 0.86 ITGB3 (0.72) ITGB3ITGA2BF7F2CYP2C9
SCHEMBL9390830 0.86 ITGB3 (0.72) ITGB3ITGA2BF7F2CYP2C9
SCHEMBL9389691 0.84 ITGB3 (0.77) ITGB3ITGA2BF7F2
SCHEMBL7385792 0.84 ITGB3 (0.77) ITGB3ITGA2BF7F2
SCHEMBL7390910 0.83 ITGB3 (0.68) ITGB3ITGA2BF7F2ITGAV

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1994017041-A1 AMIDINOPHENYL SUBSTITUTED UREA, THIOUREA OR GUANIDINO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-04 WO disclosed
US-5314902-A Thioureas and guanidine compounds, anticoagulants MONSANTO COMPANY (US) 1994-05-24 US disclosed