SCHEMBL7059050

SCHEMBL7059050

CCCCS(=O)(=O)NC(CNC(=O)c1cn(C)c2c(F)c(CCNC3N=CCCN3)c(F)cc2c1=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.39
ITGA2B P08514 18/20 0.39
ITGAV P06756 4/20 0.35
TSHR P16473 1/20 0.31

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
SCHEMBL1072536 0.94 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL8311626 0.91 ALDH1A1 (0.36) ITGB3ITGA2BITGAV
SCHEMBL7059871 0.88 ITGB3 (0.38) ITGB3ITGA2BITGAV
SCHEMBL7059299 0.87 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL1070617 0.85 ITGB3 (0.36) ITGB3ITGA2BITGAV
SCHEMBL1071119 0.84 ITGB3 (0.41) ITGB3ITGA2BITGAV
SCHEMBL1071022 0.81 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL1067956 0.81 ITGB3 (0.35) ITGB3ITGA2BITGAV
SCHEMBL1071021 0.81 ITGAV (0.43) ITGB3ITGA2BITGAV
SCHEMBL5779990 0.80 ITGB3 (0.41) ITGB3ITGA2BITGAVTSHR

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-1307226-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Bristol-Myers Squibb Pharma Company (US) 2003-05-07 EP disclosed
WO-2001097848-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed