SCHEMBL7323153

SCHEMBL7323153

N=C(N)c1ccc(NC(=O)CCC(=O)NC(CC(=O)O)C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.65
ITGA2B P08514 20/20 0.65

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
SCHEMBL7321034 0.87 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7431042 0.87 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL13717015 0.86 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL7331506 0.85 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7321771 0.84 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7326462 0.84 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7331503 0.84 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL13744829 0.84 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL7350160 0.83 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL7350173 0.83 ITGB3 (0.69) 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-5550159-A Peptide mimics useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-08-27 US disclosed
US-5453440-A Amidine functional group on benzene ring, anticoagulants G. D. SEARLE & CO. (US) 1995-09-26 US disclosed
WO-1993018058-A1 PEPTIDES MIMICS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-09-16 WO disclosed