SCHEMBL7397288

SCHEMBL7397288

N=C(N)c1ccc(N2CCCN(CC(=O)NCCC(=O)O)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.53
ITGA2B P08514 18/20 0.53
F10 P00742 2/20 0.46
F2 P00734 1/20 0.46
PRSS1 P07477 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
SCHEMBL7405707 0.94 ITGB3 (0.55) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8539839 0.88 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7395840 0.87 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7401425 0.86 ITGB3 (0.58) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9052848 0.84 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL8540990 0.83 F10 (0.52) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7283544 0.82 F10 (0.51) ITGB3ITGA2BF10F2PRSS1
SCHEMBL8969763 0.81 ITGB3 (0.41) ITGB3ITGA2BF2
SCHEMBL7282861 0.80 ITGB3 (0.49) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7398279 0.80 ITGB3 (0.62) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP claimed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP claimed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US claimed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed