SCHEMBL7465389

SCHEMBL7465389

O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(N2CCC[C@H](NC3=NCCCN3)C2)c(Cl)c1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.85
ITGA2B P08514 19/20 0.85
ITGAV P06756 16/20 0.85
ITGB1 P05556 1/20 0.47
ITGB5 P18084 1/20 0.47

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
SCHEMBL7468354 0.92 ITGB3 (0.86) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7462881 0.92 ITGB3 (0.86) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL382328 0.92 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7052834 0.89 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7461023 0.89 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6498003 0.89 ITGB3 (0.85) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6497896 0.89 ITGB3 (0.85) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7464973 0.87 ITGB3 (0.96) ITGB3ITGA2BITGAV
SCHEMBL7469948 0.87 ITGB3 (0.86) ITGB3ITGA2BITGAV
SCHEMBL7470363 0.87 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