Sugi Predict

Sugi Predict / Compounds / SCHEMBL8334392

SCHEMBL8334392

SCHEMBL8334392

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 1.00
▸ ITGAV P06756 20/20 1.00
▸ ITGB6 P18564 17/20 1.00
▸ ITGB1 P05556 3/20 0.75
▸ ITGA5 P08648 3/20 0.75
▸ ITGB5 P18084 3/20 0.75
▸ ITGB8 P26012 3/20 0.75
▸ ITGA8 P53708 3/20 0.75
▸ ITGA2B P08514 1/20 0.71

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
SCHEMBL6224073 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6224071 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL8333985 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6224906 0.93 ITGB3 (0.87) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6805932 0.90 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL8324159 0.90 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6229631 0.90 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6222342 0.90 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6224912 0.89 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6224915 0.89 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