SCHEMBL7462017

SCHEMBL7462017

O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(N2CCCCC2Nc2ncccn2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.48
ITGA2B P08514 20/20 0.48
ITGAV P06756 9/20 0.48
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGB5 P18084 1/20 0.39

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
SCHEMBL7047480 0.90 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL7461760 0.89 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7469305 0.88 ITGB3 (0.63) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7048410 0.85 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL6500788 0.85 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL7462037 0.85 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL7462236 0.85 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL7468380 0.84 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL381774 0.83 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL7457802 0.80 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