SCHEMBL7364451

SCHEMBL7364451

CC(C)[C@@H](NC(=O)c1ccc(C(=N)N)cc1)C(C(=O)N1CCC(CC(=O)O)CC1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.71
ITGA2B P08514 20/20 0.71

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
SCHEMBL7359369 0.90 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL7356494 0.86 ITGB3 (0.68) ITGB3ITGA2B
SCHEMBL7331297 0.84 ITGB3 (1.00) ITGB3ITGA2B
Iodide SCHEMBL9225689 0.83 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL7356794 0.81 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL5531982 0.80 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7835723 0.80 ITGB3 (0.68) ITGB3ITGA2B
SCHEMBL7359359 0.79 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7356819 0.78 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7363765 0.78 ITGB3 (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 EP disclosed
US-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 US disclosed
WO-1996020172-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED β-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1996-07-04 WO disclosed