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SCHEMBL7436993

SCHEMBL7436993

C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(NC(=O)c2ccc3c(c2)N[C@H](CC(=O)O)C(=O)N(CCc2ccccc2)C3)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.63
▸ ITGA2B P08514 18/20 0.63
▸ ITGAV P06756 4/20 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
SCHEMBL7595444 0.92 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7595440 0.92 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7507520 0.87 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL7437642 0.86 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7437648 0.86 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7439676 0.83 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL7439672 0.83 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL7402331 0.80 ITGB3 (0.83) ITGB3ITGA2BITGAV
SCHEMBL7592827 0.80 ITGB3 (0.83) ITGB3ITGA2BITGAV
SCHEMBL7447501 0.80 ITGB3 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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