SCHEMBL7465276

SCHEMBL7465276

O=C(NC[C@H](NS(=O)(=O)c1cccnc1)C(=O)O)c1ccc(N2CCCCC2Nc2ncccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 7/20 0.53
ITGB3 P05106 19/20 0.50
ITGA2B P08514 19/20 0.50

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
SCHEMBL7048410 0.93 ITGB3 (0.57) ITGAVITGB3ITGA2B
SCHEMBL7462236 0.92 ITGB3 (0.56) ITGAVITGB3ITGA2B
SCHEMBL381774 0.90 ITGB3 (0.58) ITGAVITGB3ITGA2B
SCHEMBL7473378 0.87 ITGB3 (0.67) ITGAVITGB3ITGA2B
SCHEMBL7465254 0.86 ITGB3 (0.56) ITGAVITGB3ITGA2B
SCHEMBL7048337 0.85 ITGB3 (0.57) ITGAVITGB3ITGA2B
SCHEMBL6500788 0.84 ITGB3 (0.49) ITGAVITGB3ITGA2B
SCHEMBL7465287 0.84 ITGB3 (0.66) ITGAVITGB3ITGA2B
SCHEMBL7463320 0.83 ITGB3 (0.43) ITGAVITGB3ITGA2B
SCHEMBL7472914 0.82 ITGB3 (0.46) ITGAVITGB3ITGA2B

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