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Sugi Predict / Compounds / SCHEMBL7669111

SCHEMBL7669111

SCHEMBL7669111

CC(C)(C)OC(=O)NC(=N)c1ccc(NC(=O)c2ccc3c(c2)N[C@H](CC(=O)O)CN(CCc2ccccc2)C3)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.73
▸ ITGA2B P08514 12/20 0.73
▸ ITGAV P06756 2/20 0.46
▸ DRD2 P14416 1/20 0.44
▸ ABCB1 P08183 5/20 0.40
▸ ABCG2 Q9UNQ0 5/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ TNF P01375 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38

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
SCHEMBL7669093 1.00 ITGB3 (0.73) ITGB3ITGA2BITGAVDRD2ABCB1
SCHEMBL7669121 0.86 ITGB3 (0.65) ITGB3ITGA2BITGAVDRD2ABCB1
SCHEMBL7669103 0.85 ITGB3 (0.72) ITGB3ITGA2BITGAVDRD2ABCB1
SCHEMBL7437406 0.85 ITGB3 (1.00) ITGB3ITGA2BITGAVABCB1ABCG2
SCHEMBL7437403 0.85 ITGB3 (1.00) ITGB3ITGA2BITGAVABCB1ABCG2
SCHEMBL7440013 0.82 ITGB3 (0.61) ITGB3ITGA2BDRD2
SCHEMBL7440009 0.82 ITGB3 (0.61) ITGB3ITGA2BDRD2
SCHEMBL7437422 0.79 ITGB3 (0.77) ITGB3ITGA2BITGAVABCB1ABCG2
SCHEMBL7450755 0.76 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7450753 0.76 ITGB3 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 — — US disclosed