SCHEMBL6958164

SCHEMBL6958164

CN1Cc2cc(C(=O)N3CCC(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)ccc2N[C@H](CC(=O)O)C1=O

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.78
ITGA2B P08514 14/20 0.78
ITGAV P06756 16/20 0.65

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
SCHEMBL6676238 1.00 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL6958161 1.00 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL7544147 0.95 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL8525426 0.92 ITGB3 (0.65) ITGB3ITGA2BITGAV
Lotrafiban SCHEMBL6673128 0.88 ITGB3 (1.00) ITGB3ITGA2BITGAV
Lotrafiban SCHEMBL6673166 0.88 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6690645 0.88 ITGB3 (0.79) ITGB3ITGA2BITGAV
Lotrafiban SCHEMBL919968 0.87 ITGB3 (0.98) ITGB3ITGA2BITGAV
Lotrafiban SCHEMBL4432242 0.86 ITGB3 (0.96) ITGB3ITGA2BITGAV
SCHEMBL7916977 0.86 ITGB3 (0.74) ITGB3ITGA2BITGAV

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-0738150-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed