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SCHEMBL8337502

SCHEMBL8337502

O=C(O)C[C@@H](NC(=O)CNC(=O)c1cccc(NC2=NCCCN2)c1)c1cc(Br)cc(Br)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 16/20 1.00
▸ ITGB1 P05556 2/20 0.67
▸ ITGA5 P08648 2/20 0.67
▸ ITGB5 P18084 2/20 0.67
▸ ITGB8 P26012 2/20 0.67
▸ ITGA8 P53708 2/20 0.67

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
SCHEMBL6777835 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6224489 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6229334 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6772515 0.88 ITGB3 (0.79) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7823462 0.88 ITGB3 (0.91) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL244091 0.88 ITGB3 (0.91) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6810083 0.88 ITGB3 (0.91) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6224178 0.87 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL8336442 0.87 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL8337383 0.86 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