SCHEMBL13614165

SCHEMBL13614165

CCC(=O)N1C[C@@H](c2ccc(C#N)cc2)[C@]2(C1)C(=O)N(c1cc(Cl)cc(Cl)c1)C(=O)N2C

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.82
ITGB2 P05107 8/20 0.82
ICAM1 P05362 8/20 0.82

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
SCHEMBL3843132 0.92 ITGAL (0.81) ITGALITGB2ICAM1
SCHEMBL3843133 0.92 ITGAL (0.81) ITGALITGB2ICAM1
SCHEMBL3841279 0.91 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL3841281 0.91 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL3840807 0.89 ITGAL (0.91) ITGALITGB2ICAM1
SCHEMBL3840803 0.89 ITGAL (0.91) ITGALITGB2ICAM1
SCHEMBL6293188 0.86 ITGAL (0.75) ITGALITGB2ICAM1
SCHEMBL6293187 0.86 ITGAL (0.75) ITGALITGB2ICAM1
SCHEMBL3845361 0.85 ITGAL (0.70) ITGALITGB2ICAM1
SCHEMBL3838464 0.85 ITGAL (0.81) 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