SCHEMBL8324314

SCHEMBL8324314

Nc1cc(NC2=NCC(O)CN2)cc(C(=O)NCC(=O)N[C@H](CC=O)c2cc(Cl)cc(Cl)c2O)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.72
ITGAV P06756 20/20 0.72
ITGB6 P18564 15/20 0.72
ITGB1 P05556 3/20 0.71
ITGA5 P08648 3/20 0.71
ITGB5 P18084 3/20 0.71
ITGB8 P26012 3/20 0.71
ITGA8 P53708 3/20 0.71
ITGA2B P08514 1/20 0.62

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
SCHEMBL8326144 0.93 ITGB3 (0.71) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL8333680 0.93 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6224906 0.91 ITGB3 (0.87) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL8335200 0.88 ITGB3 (0.67) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL8334392 0.84 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6805932 0.84 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL8324191 0.84 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6221783 0.83 ITGB3 (0.86) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6266940 0.83 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6682740 0.83 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5

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