SCHEMBL27059

SCHEMBL27059

COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 1.00
CCR5 P51681 1/20 0.75
FFAR4 Q5NUL3 1/20 0.75
SLCO1B1 Q9Y6L6 1/20 0.75

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
SCHEMBL29517 0.91 CCR4 (0.83) CCR4CCR5FFAR4SLCO1B1
SCHEMBL18861 0.89 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30522123 0.87 CCR4 (0.98) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30208 0.86 CCR4 (0.75) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30241522 0.86 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30241535 0.86 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30241543 0.86 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL358731 0.86 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL22653557 0.85 CCR4 (0.98) CCR4CCR5FFAR4SLCO1B1
SCHEMBL22653553 0.85 CCR4 (0.98) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012025473-A1 CC.CHEMOKINE RECEPTOR 4 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-03-01 WO disclosed