SCHEMBL5162926

SCHEMBL5162926

CCn1c(C)c(-c2ccc(C[C@H](NC(=O)C3(CCOC)CCCC3)C(=O)O)cc2)c(=O)n(CC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 1.00
ITGA4 P13612 19/20 1.00
ITGB7 P26010 13/20 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
SCHEMBL5160689 0.87 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL5162175 0.81 ITGB1 (0.88) ITGB1ITGA4ITGB7
SCHEMBL27495106 0.80 ITGB1 (0.67) ITGB1ITGA4ITGB7
SCHEMBL7718837 0.78 ITGA4 (0.79) ITGB1ITGA4ITGB7
SCHEMBL7421762 0.78 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL27503235 0.78 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL4896216 0.78 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL6629266 0.77 ITGB1 (0.66) ITGB1ITGA4ITGB7
SCHEMBL7415040 0.77 ITGB1 (0.63) ITGB1ITGA4ITGB7
SCHEMBL4888003 0.75 ITGA4 (0.63) ITGB1ITGA4ITGB7

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-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-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