SCHEMBL7435601

SCHEMBL7435601

NCc1ccc(CNC(=O)c2ccc3c(c2)CC(CC(=O)O)C(=O)N(CCc2ccccc2)C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.59
ITGA2B P08514 15/20 0.59
ITGAV P06756 5/20 0.49
CFD P00746 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL7435590 1.00 ITGB3 (0.59) ITGB3ITGA2BITGAVCFDNAMPT
SCHEMBL6677664 0.92 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6677677 0.92 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7445376 0.89 ITGB3 (0.54) ITGB3ITGA2BITGAVNAMPT
SCHEMBL7445367 0.89 ITGB3 (0.54) ITGB3ITGA2BITGAVNAMPT
SCHEMBL6677682 0.89 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL6950146 0.84 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL6675230 0.84 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7437125 0.84 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7437143 0.84 ITGB3 (0.68) 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