SCHEMBL6677677

SCHEMBL6677677

N=C(N)c1ccc(CNC(=O)c2ccc3c(c2)C[C@H](CC(=O)O)C(=O)N(CCc2ccccc2)C3)cc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.70
ITGA2B P08514 17/20 0.70
ITGAV P06756 3/20 0.57
F2 P00734 1/20 0.45
KLKB1 P03952 1/20 0.44

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
SCHEMBL6677664 1.00 ITGB3 (0.70) ITGB3ITGA2BITGAVF2KLKB1
SCHEMBL7435601 0.92 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7435590 0.92 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL6678683 0.89 ITGB3 (0.57) ITGB3ITGA2BITGAVKLKB1
SCHEMBL6677727 0.89 ITGB3 (0.57) ITGB3ITGA2BITGAVKLKB1
SCHEMBL7445376 0.88 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7445367 0.88 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL6677682 0.87 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL6675230 0.86 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL6950146 0.86 ITGB3 (0.54) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
EP-0738150-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US 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
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed