SCHEMBL13186542

SCHEMBL13186542

COc1c(F)ccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C2COCCN2)c1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.84
CCR5 P51681 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56

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
SCHEMBL356724 1.00 CCR4 (0.84) CCR4CCR5FFAR4SLCO1B1
SCHEMBL358021 1.00 CCR4 (0.84) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10234920 0.91 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10234917 0.91 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL356525 0.91 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
Hydrochloric Acid SCHEMBL357170 0.91 CCR4 (0.99) CCR4CCR5FFAR4SLCO1B1
Hydrochloric Acid SCHEMBL355863 0.91 CCR4 (0.99) CCR4CCR5FFAR4SLCO1B1
SCHEMBL358233 0.89 CCR4 (0.87) CCR4CCR5FFAR4SLCO1B1
SCHEMBL13186541 0.89 CCR4 (0.87) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10235339 0.89 CCR4 (0.84) CCR4

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
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed