SCHEMBL7962544

SCHEMBL7962544

N=C(N)c1ccc(NC(=O)C2CCCN(C(=O)NC(CC(=O)O)c3cccnc3)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.60
ITGA2B P08514 17/20 0.60
ITGAV P06756 2/20 0.43
TPSAB1 Q15661 1/20 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
SCHEMBL7962515 0.90 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7962547 0.86 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL7976214 0.85 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL9397091 0.84 ITGB3 (0.53) ITGB3ITGA2BTPSAB1
SCHEMBL7972452 0.84 ITGB3 (0.64) ITGB3ITGA2BITGAVTPSAB1
SCHEMBL6975938 0.80 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7085479 0.80 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7391723 0.78 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL6978255 0.76 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7962531 0.75 ITGB3 (0.49) 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 3 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