SCHEMBL7338175

SCHEMBL7338175

COCCN1c2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2CNC(=O)C1CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.62
ITGAV P06756 16/20 0.62
ITGA2B P08514 2/20 0.56
TSHR P16473 1/20 0.50
MAPK10 P53779 1/20 0.50
ROCK2 O75116 1/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7360585 0.78 ITGB3 (0.72) ITGB3ITGAVITGA2BTSHRMAPK10
SCHEMBL7398842 0.77 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL8468930 0.77 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7917702 0.77 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8327959 0.76 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7442340 0.76 ITGB3 (0.59) ITGB3ITGAVITGA2BTSHRMAPK10
SCHEMBL7368305 0.75 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL6951803 0.73 ITGB3 (0.73) ITGB3ITGAVITGA2BTSHRMAPK10
SCHEMBL6947538 0.72 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6941347 0.72 ITGB3 (1.00) 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-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed