SCHEMBL13614875

SCHEMBL13614875

CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(CC(=O)O)C[C@H]2c1ccc(N)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.65
ITGB2 P05107 9/20 0.65
ICAM1 P05362 9/20 0.65

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
SCHEMBL3840795 0.88 ITGAL (0.82) ITGALITGB2ICAM1
SCHEMBL3840797 0.88 ITGAL (0.82) ITGALITGB2ICAM1
SCHEMBL13614146 0.85 ITGAL (0.82) ITGALITGB2ICAM1
SCHEMBL13614122 0.84 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL5839416 0.82 ITGAL (0.77) ITGALITGB2ICAM1
SCHEMBL5839417 0.82 ITGAL (0.77) ITGALITGB2ICAM1
SCHEMBL13614154 0.80 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL3843826 0.79 ITGAL (0.75) ITGALITGB2ICAM1
SCHEMBL3843828 0.79 ITGAL (0.75) ITGALITGB2ICAM1
SCHEMBL3860486 0.79 ITGAL (0.79) ITGALITGB2ICAM1

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
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed