SCHEMBL7059299

SCHEMBL7059299

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.35
ITGA2B P08514 15/20 0.35
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL1067956 0.94 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL7059050 0.87 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL1072330 0.85 KDM4E (0.35) ITGB3ITGA2BKDM4E
SCHEMBL1072337 0.84 ITGB3 (0.36) ITGB3ITGA2BKDM4EGLA
SCHEMBL1069863 0.83 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7059871 0.82 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL1072536 0.81 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL27557111 0.79 ITGB3 (0.34) ITGB3ITGA2B
SCHEMBL1072341 0.79 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL8311626 0.78 ALDH1A1 (0.36) ITGB3ITGA2BKDM4E

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