SCHEMBL27431

SCHEMBL27431

COc1cccc2c1c(N)nn2Cc1cccc(CCC(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 15/20 0.47
PLA2G2A P14555 4/20 0.45
SLC22A12 Q96S37 1/20 0.44

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
SCHEMBL185508 0.85 CCR4 (0.60) CCR4PLA2G2A
SCHEMBL18001 0.83 CCR4 (0.56) CCR4
SCHEMBL27571 0.82 CCR4 (0.62) CCR4
SCHEMBL185722 0.81 CCR4 (0.54) CCR4
SCHEMBL12473982 0.80 CCR4 (0.57) CCR4
SCHEMBL185970 0.80 CCR4 (0.52) CCR4PLA2G2A
SCHEMBL22678941 0.79 CCR4 (0.66) CCR4
SCHEMBL12473979 0.78 CCR4 (0.73) CCR4
SCHEMBL12473985 0.77 CCR4 (0.55) CCR4
SCHEMBL17876 0.76 BUB1 (0.47) 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-2012025473-A1 CC.CHEMOKINE RECEPTOR 4 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-03-01 WO disclosed