SCHEMBL7473378

SCHEMBL7473378

O=C(NC[C@H](NS(=O)(=O)c1cccnc1)C(=O)O)c1ccc(N2CCCCC2NC2=NCCCN2)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.67
ITGA2B P08514 18/20 0.67
ITGAV P06756 13/20 0.67

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
SCHEMBL7052828 0.94 ITGB3 (0.76) ITGB3ITGA2BITGAV
SCHEMBL7461955 0.93 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL382414 0.91 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL7465276 0.87 ITGAV (0.53) ITGB3ITGA2BITGAV
SCHEMBL7049845 0.86 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL6497886 0.86 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL7473387 0.85 ITGB3 (0.88) ITGB3ITGA2BITGAV
SCHEMBL7464513 0.84 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL7461018 0.83 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL7459950 0.83 ITGB3 (0.56) 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