SCHEMBL19390905

SCHEMBL19390905

CCN(c1cc(Cl)cc(C(=O)NC/C(C(N)=O)=C(\C)NC)c1C)C1CCN(CCc2cccc(OC)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 12/20 0.42
▸ OPRM1 P35372 3/20 0.41
▸ CCR4 P51679 1/20 0.40
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ THRB P10828 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
SCHEMBL19390977 0.87 EZH2 (0.42) EZH2
SCHEMBL19390941 0.85 OPRM1 (0.43) OPRM1OPRD1OPRK1CACNA1GTHRB
SCHEMBL16398375 0.83 OPRM1 (0.49) OPRM1CCR4OPRD1OPRK1CACNA1G
SCHEMBL16398094 0.83 OPRM1 (0.50) OPRM1CCR4OPRD1OPRK1
SCHEMBL19391031 0.82 EZH2 (0.42) EZH2
SCHEMBL19390938 0.81 EZH2 (0.48) EZH2
SCHEMBL19390963 0.81 EZH2 (0.41) EZH2
SCHEMBL16402441 0.80 EZH2 (0.51) EZH2
SCHEMBL15839169 0.80 EZH2 (0.57) EZH2
SCHEMBL16402619 0.80 EZH2 (0.53) 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
EP-3022184-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2017-09-27 — — EP disclosed
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