SCHEMBL7276540

SCHEMBL7276540

N=C(N)c1ccc(C(=O)NC(CC(=O)O)C(=O)N2CCC(OCC(=O)O)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.77
ITGA2B P08514 20/20 0.77

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
SCHEMBL7283177 0.92 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7294041 0.91 ITGB3 (0.78) ITGB3ITGA2B
SCHEMBL8379088 0.91 ITGB3 (0.78) ITGB3ITGA2B
SCHEMBL8882836 0.90 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL7286033 0.89 ITGB3 (0.78) ITGB3ITGA2B
SCHEMBL7282972 0.89 ITGB3 (0.86) ITGB3ITGA2B
Lamifiban SCHEMBL871446 0.87 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7274876 0.87 ITGB3 (0.72) ITGB3ITGA2B
Lamifiban SCHEMBL4683 0.87 ITGB3 (1.00) ITGB3ITGA2B
Ro-44-3888 SCHEMBL7284509 0.86 ITGB3 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658928-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS,WOUND HEALING AGENTS, OSTEOPOROSIS HOFFMANN-LA ROCHE INC. (US) 1997-08-19 US disclosed
US-5545658-A FOR TREATMENT OR PROPHYLAXIS OF ILLNESSES WHICH ARE CAUSED BY THE BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELETS AND BY BLOOD PLATELET AGGREGATION AND CELL-CELL ADHESION HOFFMAN-LA ROCHE INC. (US) 1996-08-13 US disclosed
EP-0505868-B1 N-Acyl-alpha-aminoacids derivatives HOFFMANN LA ROCHE (CH) 1995-09-13 EP disclosed
US-5378712-A Antithrombosis Hoffmann-La Roche Inc (US) 1995-01-03 US disclosed
EP-0505868-A2 N-Acyl-alpha-aminoacids derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-09-30 EP disclosed