SCHEMBL186002

SCHEMBL186002

COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1ccc(C(NC(=O)O)C(C)(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.73
CCR5 P51681 1/20 0.65
FFAR4 Q5NUL3 1/20 0.65
SLCO1B1 Q9Y6L6 1/20 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
SCHEMBL186631 0.87 CCR4 (0.53) CCR4CCR5FFAR4SLCO1B1
SCHEMBL358176 0.84 CCR4 (0.76) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10234777 0.83 CCR4 (0.90) CCR4
SCHEMBL359285 0.83 CCR4 (1.00) CCR4
SCHEMBL185878 0.83 CCR4 (0.71) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186421 0.83 CCR4 (0.88) CCR4
SCHEMBL202383 0.82 CCR4 (0.69) CCR4CCR5FFAR4SLCO1B1
SCHEMBL358630 0.82 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10234774 0.82 CCR4 (0.81) CCR4CCR5FFAR4SLCO1B1
SCHEMBL201970 0.82 CCR4 (0.68) CCR4CCR5FFAR4SLCO1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed