SCHEMBL6676578

SCHEMBL6676578

CC(C)N1Cc2ccc(C(=O)NCc3ccc(C(=N)N)cc3)cc2C[C@H](CC(=O)O)C1=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.51
ITGA2B P08514 5/20 0.51
ITGAV P06756 1/20 0.44
KLKB1 P03952 13/20 0.44
TPSAB1 Q15661 1/20 0.41

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
SCHEMBL6676568 1.00 ITGB3 (0.51) ITGB3ITGA2BITGAVKLKB1TPSAB1
SCHEMBL6676580 0.86 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL6677664 0.82 ITGB3 (0.70) ITGB3ITGA2BITGAVKLKB1
SCHEMBL6677677 0.82 ITGB3 (0.70) ITGB3ITGA2BITGAVKLKB1
SCHEMBL6676571 0.81 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL6677727 0.78 ITGB3 (0.57) ITGB3ITGA2BITGAVKLKB1
SCHEMBL6678683 0.78 ITGB3 (0.57) ITGB3ITGA2BITGAVKLKB1
SCHEMBL8028957 0.75 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7438065 0.73 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL7438102 0.73 ITGB3 (0.60) 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 6 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 claimed
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO 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