SCHEMBL29434

SCHEMBL29434

COc1cccc2c1c(NS(=O)(=O)c1ccc(F)c(F)c1)nn2Cc1cccc(CNC(=O)[C@H]2COCCN2)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.75
CCR5 P51681 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49

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
SCHEMBL30369 0.95 CCR4 (0.73) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30563 0.94 CCR4 (0.78) CCR4CCR5FFAR4SLCO1B1
SCHEMBL31098 0.93 CCR4 (0.70) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30685 0.91 CCR4 (0.73) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30995 0.91 CCR4 (0.77) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30307 0.89 CCR4 (0.76) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30317 0.89 CCR4 (0.65) CCR4CCR5FFAR4SLCO1B1
SCHEMBL28478 0.89 CCR4 (0.65) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10278781 0.86 CCR4 (0.87) CCR4CCR5FFAR4SLCO1B1
SCHEMBL13241520 0.86 CCR4 (0.87) 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