SCHEMBL8739440

SCHEMBL8739440

CC1(C)CC(NC(=O)c2ccc(Oc3cccc(CN4CCCCC4)c3)cc2)CC(C)(C)N1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 11/20 0.66
CCR8 P51685 2/20 0.50
DRD4 P21917 1/20 0.49
SLC2A1 P11166 1/20 0.49
CHRM4 P08173 1/20 0.47

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
SCHEMBL8739043 0.99 EZH2 (0.67) EZH2CCR8DRD4SLC2A1CHRM4
SCHEMBL8739277 0.91 EZH2 (0.64) EZH2CCR8DRD4
SCHEMBL8738589 0.85 EZH2 (0.75) EZH2
SCHEMBL8738269 0.84 EZH2 (0.72) EZH2
SCHEMBL8738278 0.83 EZH2 (0.71) EZH2
SCHEMBL8738676 0.81 EZH2 (0.67) EZH2
SCHEMBL8739015 0.80 EZH2 (0.77) EZH2SLC2A1
SCHEMBL8738591 0.80 EZH2 (1.00) EZH2
SCHEMBL8738562 0.80 EZH2 (0.80) EZH2
SCHEMBL8738134 0.80 EZH2 (0.80) EZH2

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-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed