SCHEMBL4557016

SCHEMBL4557016

CCN(CC)c1ncc(NCCS(=O)(=O)c2ccc(F)cc2F)c(Nc2[c]c(OC(=O)N(C)C)ccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.36
ITGA4 P13612 14/20 0.36
ITGB7 P26010 12/20 0.36
CCR2 P41597 1/20 0.32
ITGAV P06756 1/20 0.32

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
SCHEMBL4203929 0.85 ITGB1 (0.35) ITGB1ITGA4ITGB7CCR2
SCHEMBL4566698 0.85 ITGB1 (0.35) ITGB1ITGA4ITGB7
SCHEMBL4458135 0.85 ITGB1 (0.38) ITGB1ITGA4ITGB7ITGAV
SCHEMBL2770139 0.79 ITGB1 (0.56) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4564578 0.77 ITGB1 (0.40) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4206085 0.76 ITGB1 (0.35) ITGB1ITGA4ITGB7
SCHEMBL4451903 0.75 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4457975 0.75 ITGB1 (0.39) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4453759 0.74 ITGB1 (0.41) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4195563 0.74 ITGB1 (0.35) ITGB1ITGA4ITGB7ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed