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Sugi Predict / Compounds / SCHEMBL7442369

SCHEMBL7442369

SCHEMBL7442369

CN(C)CCCCNC(=O)c1ccc2c(c1)N[C@H](CC(=O)O)C(=O)N(CCc1ccccc1)C2

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.70
▸ ITGA2B P08514 16/20 0.70
▸ ITGAV P06756 6/20 0.56

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
SCHEMBL7442353 1.00 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6945933 0.89 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL6945918 0.89 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL7442717 0.89 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6951690 0.89 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL6945518 0.89 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL6951684 0.89 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL6945526 0.89 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL6951683 0.86 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL6947934 0.86 ITGB3 (0.71) 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