SCHEMBL18001

SCHEMBL18001

COc1cccc2c1c(N)nn2Cc1cccc(CN)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 19/20 0.56
ABHD6 Q9BV23 1/20 0.40
CCR5 P51681 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40

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
SCHEMBL185722 0.86 CCR4 (0.54) CCR4
SCHEMBL185508 0.83 CCR4 (0.60) CCR4ABHD6
SCHEMBL17876 0.83 BUB1 (0.47) CCR4
SCHEMBL27431 0.83 CCR4 (0.47) CCR4
SCHEMBL186393 0.82 CSF1R (0.47) CCR4
SCHEMBL27571 0.82 CCR4 (0.62) CCR4CCR5FFAR4SLCO1B1
SCHEMBL22678941 0.79 CCR4 (0.66) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30708 0.78 CCR4 (0.59) CCR4CCR5FFAR4SLCO1B1
SCHEMBL21896 0.77 CCR4 (0.71) CCR4CCR5FFAR4SLCO1B1
SCHEMBL185970 0.77 CCR4 (0.52) 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 2 patents. 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
WO-2012025473-A1 CC.CHEMOKINE RECEPTOR 4 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-03-01 WO disclosed