SCHEMBL7473387

SCHEMBL7473387

O=C(NC[C@H](NS(=O)(=O)c1cccnc1)C(=O)O)c1ccc(N2CCC[C@H](NC3=NCCCN3)C2)cc1

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.88
ITGA2B P08514 18/20 0.88
ITGAV P06756 14/20 0.88

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
SCHEMBL7052834 0.94 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7461023 0.94 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7464973 0.92 ITGB3 (0.96) ITGB3ITGA2BITGAV
SCHEMBL382415 0.90 ITGB3 (0.93) ITGB3ITGA2BITGAV
SCHEMBL7465287 0.87 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL7049841 0.86 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL27360384 0.86 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6498003 0.86 ITGB3 (0.85) ITGB3ITGA2BITGAV
SCHEMBL6497896 0.86 ITGB3 (0.85) ITGB3ITGA2BITGAV
SCHEMBL382772 0.85 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP claimed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed