SCHEMBL13614154

SCHEMBL13614154

Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@]23C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N3C)cc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.80
ITGB2 P05107 9/20 0.80
ICAM1 P05362 9/20 0.80

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
SCHEMBL3860482 0.91 ITGAL (0.79) ITGALITGB2ICAM1
SCHEMBL3860486 0.91 ITGAL (0.79) ITGALITGB2ICAM1
SCHEMBL3843166 0.89 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL3843167 0.89 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL3840729 0.87 ITGAL (0.72) ITGALITGB2ICAM1
SCHEMBL3840731 0.87 ITGAL (0.72) ITGALITGB2ICAM1
SCHEMBL14026021 0.83 ITGAL (0.83) ITGALITGB2ICAM1
SCHEMBL14159875 0.83 ITGAL (0.83) ITGALITGB2ICAM1
SCHEMBL3838820 0.81 ITGAL (0.85) ITGALITGB2ICAM1
SCHEMBL3838816 0.81 ITGAL (0.85) 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