SCHEMBL7436616

SCHEMBL7436616

NCc1ccc(C(=O)Nc2ccc3c(c2)N[C@H](CC(=O)O)C(=O)N(CCc2ccccc2)C3)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.74
ITGA2B P08514 18/20 0.74
ITGAV P06756 4/20 0.66

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
SCHEMBL7436610 1.00 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7402331 0.87 ITGB3 (0.83) ITGB3ITGA2BITGAV
SCHEMBL7592827 0.87 ITGB3 (0.83) ITGB3ITGA2BITGAV
SCHEMBL7430738 0.86 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL7396631 0.86 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL7397682 0.85 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7397681 0.85 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6952580 0.83 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6952587 0.83 ITGB3 (1.00) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL3042370 0.83 ITGB3 (0.98) 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-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
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