SCHEMBL8337383

SCHEMBL8337383

O=C(O)C[C@@H](NC(=O)CNC(=O)c1cccc(NC2=NCCCN2)c1)c1cc(Cl)cc(Cl)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 20/20 1.00
ITGB6 P18564 15/20 1.00
ITGB1 P05556 1/20 0.78
ITGA5 P08648 1/20 0.78
ITGB5 P18084 1/20 0.78
ITGB8 P26012 1/20 0.78
ITGA8 P53708 1/20 0.78

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
SCHEMBL6778717 1.00 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7835721 0.95 ITGB3 (0.91) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777835 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6229334 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6225649 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6224489 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL13059977 0.89 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL30430710 0.88 ITGB3 (0.79) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773616 0.88 ITGB3 (0.79) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7823462 0.88 ITGB3 (0.91) 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