SCHEMBL30630

SCHEMBL30630

COc1cccc2c1c(Nc1cccc(Cl)c1Cl)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.76
CCR5 P51681 1/20 0.65
FFAR4 Q5NUL3 1/20 0.65
SLCO1B1 Q9Y6L6 1/20 0.65

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
SCHEMBL30085 0.93 CCR4 (0.67) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30728 0.90 CCR4 (0.62) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30525 0.89 CCR4 (0.62) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30208 0.87 CCR4 (0.75) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30708 0.83 CCR4 (0.59) CCR4CCR5FFAR4SLCO1B1
SCHEMBL22678941 0.82 CCR4 (0.66) CCR4CCR5FFAR4SLCO1B1
SCHEMBL31157 0.81 CCR4 (0.53) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30582 0.81 CCR4 (0.69) CCR4CCR5FFAR4SLCO1B1
SCHEMBL27059 0.81 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30958 0.81 CCR4 (0.52) 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