SCHEMBL8334360

SCHEMBL8334360

O=C(O)C[C@@H](NC(=O)CNC(=O)c1cccc(NC2=NCC(F)CN2)c1)c1cc(Br)cc(Cl)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 20/20 1.00
ITGB6 P18564 15/20 1.00

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
SCHEMBL6225049 1.00 ITGB3 (1.00) ITGB3ITGAVITGB6
SCHEMBL6229631 0.94 ITGB3 (1.00) ITGB3ITGAVITGB6
SCHEMBL6222342 0.94 ITGB3 (1.00) ITGB3ITGAVITGB6
SCHEMBL8324159 0.94 ITGB3 (1.00) ITGB3ITGAVITGB6
SCHEMBL6224805 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6
SCHEMBL6224801 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6
SCHEMBL6227225 0.91 ITGB3 (1.00) ITGB3ITGAVITGB6
SCHEMBL6225341 0.91 ITGB3 (1.00) ITGB3ITGAVITGB6
SCHEMBL6225347 0.91 ITGB3 (1.00) ITGB3ITGAVITGB6
SCHEMBL244091 0.88 ITGB3 (0.91) ITGB3ITGAVITGB6

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