SCHEMBL7465504

SCHEMBL7465504

O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(N2CCCCC2NC2=NCCCN2)c(F)c1F

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.62
ITGAV P06756 19/20 0.62
ITGA2B P08514 19/20 0.62
ITGB1 P05556 1/20 0.43
ITGB5 P18084 1/20 0.43

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
SCHEMBL5394684 0.88 ITGB3 (0.78) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7046670 0.88 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382333 0.87 ITGB3 (0.78) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7468380 0.87 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL7465516 0.85 ITGB3 (0.79) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7465379 0.85 ITGB3 (0.79) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7463747 0.85 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7469305 0.85 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7052828 0.85 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL7461955 0.84 ITGB3 (0.75) ITGB3ITGAVITGA2B

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