SCHEMBL7435580

SCHEMBL7435580

O=C(O)C[C@H]1Nc2cc(C(=O)NCCc3cnccn3)ccc2CN(CCc2ccccc2)C1=O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.68
▸ ITGA2B P08514 17/20 0.68
▸ ITGAV P06756 8/20 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
SCHEMBL7435577 1.00 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL6945865 0.92 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6945859 0.92 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6946016 0.90 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL6949391 0.90 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL6949323 0.88 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL6949330 0.88 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7436063 0.87 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7436055 0.87 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7446635 0.87 ITGB3 (0.67) 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
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