SCHEMBL8467945

SCHEMBL8467945

O=C(O)CC1Nc2ccc(C(=O)N(CCCCNC(=O)c3ccccc3C(=O)O)Cc3nc4ccccc4[nH]3)cc2CN(CCc2ccccc2)C1=O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.69
ITGAV P06756 20/20 0.69
ITGA2B P08514 2/20 0.55

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
SCHEMBL8468526 0.88 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL8465392 0.87 ITGB3 (0.86) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7392211 0.84 ITGB3 (0.80) ITGB3ITGAVITGA2B
SCHEMBL8467626 0.83 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL7074204 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7072095 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL5972772 0.81 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7077079 0.81 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6946659 0.81 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7509393 0.79 ITGB3 (0.85) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed