SCHEMBL7437403

SCHEMBL7437403

N=C(N)c1ccc(NC(=O)c2ccc3c(c2)NC(CC(=O)O)CN(CCc2ccccc2)C3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 1.00
ITGA2B P08514 18/20 1.00
ITGAV P06756 2/20 0.62
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL7437406 1.00 ITGB3 (1.00) ITGB3ITGA2BITGAVABCB1ABCG2
SCHEMBL7437422 0.87 ITGB3 (0.77) ITGB3ITGA2BITGAVABCB1ABCG2
SCHEMBL7669111 0.85 ITGB3 (0.73) ITGB3ITGA2BITGAVABCB1ABCG2
SCHEMBL7669093 0.85 ITGB3 (0.73) ITGB3ITGA2BITGAVABCB1ABCG2
SCHEMBL7669103 0.84 ITGB3 (0.72) ITGB3ITGA2BITGAVABCB1ABCG2
SCHEMBL7593946 0.83 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7450753 0.82 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7450755 0.82 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL6952587 0.82 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6952580 0.82 ITGB3 (1.00) 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