SCHEMBL8325975

SCHEMBL8325975

CCOC(=O)C[C@@H](NC(=O)CNC(=O)c1cncc(NC2=NCC(F)CN2)c1)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.82
ITGAV P06756 20/20 0.82
ITGB6 P18564 14/20 0.82
ITGB1 P05556 1/20 0.64
ITGA2B P08514 1/20 0.64
ITGA5 P08648 1/20 0.64
ITGB8 P26012 1/20 0.64

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
SCHEMBL8326989 0.94 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL8327005 0.91 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL8336297 0.91 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6223447 0.90 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6223680 0.90 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL8336369 0.85 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6222060 0.84 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6380184 0.84 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL8327281 0.82 ITGB3 (0.68) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6226399 0.81 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004060376-A1 THE R-ISOMER OF BETA AMINO ACID COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPRATION (US) 2004-07-22 WO disclosed