SCHEMBL7474804

SCHEMBL7474804

O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(N2CCC[C@H](Nc3ncccn3)C2)c(F)c1F

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 12/20 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
SCHEMBL382203 0.91 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL7467585 0.87 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7462044 0.87 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7047485 0.87 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL7465516 0.87 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL382290 0.85 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL381745 0.85 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7470363 0.85 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL6499610 0.84 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL7461777 0.84 ITGB3 (0.65) 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