SCHEMBL7380913

SCHEMBL7380913

N=C(N)c1ccc(CCCCC(=O)NC(CC(=O)O)c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.91
ITGA2B P08514 18/20 0.91
PRSS1 P07477 1/20 0.47
TMPRSS15 P98073 1/20 0.47
F10 P00742 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
SCHEMBL7385774 0.97 ITGB3 (0.85) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7390051 0.96 ITGB3 (0.84) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7384201 0.95 ITGB3 (1.00) ITGB3ITGA2BF10
SCHEMBL7385745 0.94 ITGB3 (0.82) ITGB3ITGA2B
SCHEMBL7388737 0.94 ITGB3 (0.82) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7392699 0.94 ITGB3 (0.82) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7382715 0.94 ITGB3 (0.88) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9710595 0.92 ITGB3 (0.84) ITGB3ITGA2BPRSS1F10
SCHEMBL7384384 0.92 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7387375 0.92 ITGB3 (0.77) ITGB3ITGA2BPRSS1TMPRSS15

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
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO claimed
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US disclosed
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP disclosed