SCHEMBL7972452

SCHEMBL7972452

N=C(N)c1ccc(NC(=O)N2CCC(C(=O)NC(CC(=O)O)c3cccnc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.64
ITGA2B P08514 16/20 0.64
ITGAV P06756 4/20 0.53
TPSAB1 Q15661 1/20 0.46

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
SCHEMBL7962529 0.89 ITGB3 (0.50) ITGB3ITGA2BITGAVTPSAB1
SCHEMBL7972470 0.85 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7962544 0.84 ITGB3 (0.60) ITGB3ITGA2BITGAVTPSAB1
SCHEMBL6975938 0.82 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7085479 0.82 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7976214 0.82 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL7391723 0.81 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL6978255 0.78 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL9389691 0.76 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7385792 0.76 ITGB3 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268380-B1 E.G., ETHYL BETA-((N-3(((4(AMINOIMINOMETHYL)PHENYL)AMINO)CARBONYL)PIPERIDY LCARBONYL)AMINO)-3-PYRIDINEPROPANOATE G. D. SEARLE & CO. 2001-07-31 US claimed
WO-1994019341-A1 UREA DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-09-01 WO claimed
US-6268380-B1 E.G., ETHYL BETA-((N-3(((4(AMINOIMINOMETHYL)PHENYL)AMINO)CARBONYL)PIPERIDY LCARBONYL)AMINO)-3-PYRIDINEPROPANOATE G. D. SEARLE & CO. 2001-07-31 US disclosed
WO-1994019341-A1 UREA DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-09-01 WO disclosed