SCHEMBL6676433

SCHEMBL6676433

CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)NC(CC(=O)O)C(=O)N(CCc1ccccc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGA2B P08514 19/20 1.00
ITGAV P06756 1/20 0.57

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
SCHEMBL6676427 1.00 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6944752 1.00 ITGB3 (1.00) ITGB3ITGA2BITGAV
Trifluoroacetic Acid SCHEMBL6950220 0.96 ITGB3 (0.93) ITGB3ITGA2BITGAV
Trifluoroacetic Acid SCHEMBL6950215 0.96 ITGB3 (0.93) ITGB3ITGA2BITGAV
SCHEMBL6950161 0.93 ITGB3 (0.87) ITGB3ITGA2BITGAV
SCHEMBL6950158 0.93 ITGB3 (0.87) ITGB3ITGA2BITGAV
SCHEMBL6705338 0.90 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6952903 0.89 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL6951570 0.89 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL6673463 0.88 ITGB3 (0.79) 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 8 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
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP claimed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP claimed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO claimed
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
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed