SCHEMBL30085

SCHEMBL30085

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

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.67
CCR5 P51681 1/20 0.58
FFAR4 Q5NUL3 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58

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
SCHEMBL30630 0.93 CCR4 (0.76) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30728 0.89 CCR4 (0.62) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30525 0.89 CCR4 (0.62) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30763 0.86 CCR4 (0.68) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30708 0.84 CCR4 (0.59) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30601 0.81 CCR4 (0.67) CCR4CCR5FFAR4SLCO1B1
SCHEMBL31157 0.81 CCR4 (0.53) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30582 0.81 CCR4 (0.69) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30643 0.81 CCR4 (0.87) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186736 0.80 CCR4 (1.00) 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