SCHEMBL1825833

SCHEMBL1825833

O=C(O)C[C@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cc1)c1cccc(F)c1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.83
ITGAV P06756 20/20 0.83
ITGB6 P18564 11/20 0.83
ITGB5 P18084 6/20 0.83
ITGA2B P08514 4/20 0.83
ITGB8 P26012 1/20 0.58
ITGB1 P05556 1/20 0.57
ITGA5 P08648 1/20 0.57

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
SCHEMBL1825834 1.00 ITGB3 (0.83) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6178864 0.91 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6178862 0.91 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL1824189 0.87 ITGB3 (0.86) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL1824185 0.87 ITGB3 (0.86) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2841497 0.87 ITGAV (0.74) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL21562843 0.86 ITGAV (0.68) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL2841970 0.85 ITGB3 (0.75) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL7507810 0.81 ITGB3 (0.76) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL7507825 0.81 ITGB3 (0.76) ITGB3ITGAVITGB6ITGB5ITGA2B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4685307-B2 2011-05-18 JP claimed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US claimed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP claimed
JP-2003508516-A 2003-03-04 JP claimed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP claimed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP claimed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO claimed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP disclosed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO disclosed