SCHEMBL7385652

SCHEMBL7385652

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

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.76
ITGA2B P08514 14/20 0.76
ST14 Q9Y5Y6 1/20 0.47
PRSS1 P07477 1/20 0.46
TMPRSS15 P98073 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
SCHEMBL7379869 0.86 ITGB3 (1.00) ITGB3ITGA2BST14PRSS1TMPRSS15
SCHEMBL7379250 0.86 ITGB3 (0.74) ITGB3ITGA2BST14
SCHEMBL7379987 0.86 ITGB3 (1.00) ITGB3ITGA2BST14PRSS1TMPRSS15
SCHEMBL7380913 0.85 ITGB3 (0.91) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7389600 0.84 ITGB3 (0.76) ITGB3ITGA2B
SCHEMBL7382273 0.83 ITGB3 (0.70) ITGB3ITGA2BST14PRSS1TMPRSS15
SCHEMBL7384201 0.83 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7381799 0.82 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7387468 0.82 ITGB3 (0.84) ITGB3ITGA2B
SCHEMBL7381387 0.82 ITGB3 (0.84) 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-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US claimed
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US disclosed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO disclosed
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP disclosed