SCHEMBL7400534

SCHEMBL7400534

N=C(N)c1ccc(-n2ccn(CCC(=O)NCCC(=O)O)c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.55
ITGA2B P08514 19/20 0.55
ITGB2 P05107 1/20 0.41
ITGAM P11215 1/20 0.41
ST14 Q9Y5Y6 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL7405136 0.94 ITGB3 (0.49) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7395044 0.90 ITGB3 (0.53) ITGB3ITGA2BITGB2ITGAMST14
SCHEMBL7404093 0.88 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7396412 0.86 ITGB3 (0.51) ITGB3ITGA2BST14
SCHEMBL7273726 0.85 ITGB3 (0.46) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7400268 0.84 ITGB3 (0.47) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7405139 0.84 ITGB3 (0.39) ITGB3ITGA2BITGB2ITGAMST14
SCHEMBL8543333 0.83 ITGB3 (0.49) ITGB3ITGA2BST14
Trifluoroacetic Acid SCHEMBL7397995 0.82 ITGB3 (0.46) ITGB3ITGA2BITGB2ITGAM
Trifluoroacetic Acid SCHEMBL7396061 0.79 ITGB3 (0.44) ITGB3ITGA2BITGB2ITGAM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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