SCHEMBL5160260

SCHEMBL5160260

Cc1cccc(Br)c1C(=O)N[C@@H](Cc1ccc(-c2cn(C)c(=O)n(C)c2=O)cc1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 19/20 0.81
ITGB1 P05556 18/20 0.81
ITGB7 P26010 15/20 0.62
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL5164939 0.89 ITGA4 (0.81) ITGA4ITGB1ITGB7
SCHEMBL27494709 0.89 ITGA4 (0.64) ITGA4ITGB1ITGB7
SCHEMBL27494708 0.89 ITGA4 (0.64) ITGA4ITGB1ITGB7
SCHEMBL5159916 0.84 ITGB1 (0.80) ITGA4ITGB1ITGB7
SCHEMBL5160231 0.80 ITGA4 (0.68) ITGA4ITGB1ITGB7
SCHEMBL27509332 0.80 ITGA4 (0.66) ITGA4ITGB1ITGB7
SCHEMBL27509333 0.80 ITGA4 (0.66) ITGA4ITGB1ITGB7
SCHEMBL5160269 0.79 ITGB1 (1.00) ITGA4ITGB1ITGB7
SCHEMBL5162599 0.78 ITGA4 (0.74) ITGA4ITGB1ITGB7
SCHEMBL5161994 0.76 ITGA4 (1.00) ITGA4ITGB1ITGB7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP claimed
EP-1237878-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-11 EP claimed
US-6380387-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS HOFFMANN-LA ROCHE INC. 2002-04-30 US claimed
WO-2001042225-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 WO claimed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1237878-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-11 EP disclosed
US-6380387-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS HOFFMANN-LA ROCHE INC. 2002-04-30 US disclosed
WO-2001042225-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 WO disclosed