SCHEMBL7457802

SCHEMBL7457802

O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(N2CCCCC2Nc2ncccn2)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.60
ITGA2B P08514 20/20 0.60
ITGAV P06756 10/20 0.60

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
SCHEMBL7463191 0.95 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL7461811 0.92 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7469575 0.91 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL7048410 0.87 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL5394684 0.87 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL7468380 0.87 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL6500788 0.87 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL7462236 0.87 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL383013 0.85 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL382175 0.85 ITGB3 (0.60) 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