SCHEMBL28994

SCHEMBL28994

COc1cc(F)cc2c1c(Nc1ccc(C)c(F)c1)nn2Cc1cccc(CNC(=O)[C@@H]2CCCCN2)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 14/20 0.57
KDM4E B2RXH2 1/20 0.42
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
HTR2A P28223 1/20 0.40
GID4 Q8IVV7 1/20 0.38

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
SCHEMBL30133 0.93 CCR4 (0.66) CCR4KDM4E
SCHEMBL31027 0.83 CCR4 (0.47) CCR4
SCHEMBL29981 0.82 CCR4 (0.58) CCR4
SCHEMBL30260 0.81 CCR4 (0.70) CCR4KDM4E
SCHEMBL29636 0.81 CCR4 (0.57) CCR4
SCHEMBL30317 0.79 CCR4 (0.65) CCR4
SCHEMBL28478 0.79 CCR4 (0.65) CCR4
SCHEMBL30582 0.77 CCR4 (0.69) CCR4KDM4E
SCHEMBL29905 0.76 CCR4 (0.54) CCR4
SCHEMBL30601 0.74 CCR4 (0.67) 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