SCHEMBL7440690

SCHEMBL7440690

N=C(N)c1ccc(NC(=O)c2ccc3c(c2)NC(CC(=O)O)CCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 1.00
ITGA2B P08514 16/20 1.00
PLAU P00749 2/20 0.49
ITGAV P06756 1/20 0.49

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
SCHEMBL7399438 1.00 ITGB3 (1.00) ITGB3ITGA2BPLAUITGAV
SCHEMBL8233920 1.00 ITGB3 (1.00) ITGB3ITGA2BPLAUITGAV
SCHEMBL7393420 0.94 ITGB3 (0.89) ITGB3ITGA2BPLAU
SCHEMBL7393424 0.94 ITGB3 (0.89) ITGB3ITGA2BPLAU
SCHEMBL7440715 0.84 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL7393434 0.79 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL7437406 0.76 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7437403 0.76 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7298855 0.76 ITGB3 (0.88) ITGB3ITGA2BPLAU
SCHEMBL7398111 0.75 ITGB3 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed