SCHEMBL8327281

SCHEMBL8327281

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

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.68
ITGAV P06756 20/20 0.68
ITGB6 P18564 16/20 0.68
ITGB1 P05556 2/20 0.60
ITGA2B P08514 2/20 0.60
ITGA5 P08648 2/20 0.60
ITGB8 P26012 2/20 0.60
ITGB5 P18084 1/20 0.60
ITGA8 P53708 1/20 0.60

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
SCHEMBL6226949 0.91 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6226939 0.91 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL8326989 0.88 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL8336369 0.88 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6223315 0.85 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL8327005 0.85 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL8325975 0.82 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL8336297 0.82 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6225944 0.81 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6225812 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