SCHEMBL9710595

SCHEMBL9710595

N=C(N)c1ccc(CCCCC(=O)NC(CC(=O)O)c2ccc(C(=N)N)cc2)cc1.N=C(N)c1ccc(CCCCC(=O)NC(CC(=O)O)c2cccc(C(=N)N)c2)cc1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.84
ITGA2B P08514 15/20 0.84
F10 P00742 5/20 0.58
F2 P00734 4/20 0.52
PRSS1 P07477 2/20 0.52

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
SCHEMBL7379216 0.98 ITGB3 (0.84) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7384201 0.92 ITGB3 (1.00) ITGB3ITGA2BF10
SCHEMBL7380913 0.92 ITGB3 (0.91) ITGB3ITGA2BF10PRSS1
SCHEMBL7383488 0.89 ITGB3 (0.79) ITGB3ITGA2BF10PRSS1
SCHEMBL7385774 0.89 ITGB3 (0.85) ITGB3ITGA2BPRSS1
SCHEMBL7382715 0.88 ITGB3 (0.88) ITGB3ITGA2BPRSS1
SCHEMBL7390051 0.88 ITGB3 (0.84) ITGB3ITGA2BPRSS1
SCHEMBL7380931 0.87 ITGB3 (0.80) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7384003 0.87 ITGB3 (0.76) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7383931 0.87 ITGB3 (0.83) ITGB3ITGA2BF10F2PRSS1

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 1 patent. 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 disclosed