SCHEMBL2222914

SCHEMBL2222914

CC(C)OC(=O)c1cccnc1N1CCN(Cc2ccc(CNC(C)C(=O)c3c(F)cccc3Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.50
GPR6 P46095 5/20 0.37
EPHX2 P34913 1/20 0.37
BDKRB1 P46663 1/20 0.36
CHRM4 P08173 1/20 0.36
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2221956 0.89 MAPT (0.52) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2222782 0.87 MAPT (0.51) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2221823 0.85 MAPT (0.53) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2223056 0.84 L3MBTL1 (0.58) MAPTKDM4EPOLBNPSR1L3MBTL1
Hydrochloric Acid SCHEMBL2223177 0.84 MAPT (0.52) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2221685 0.82 MAPT (0.50) MAPTKDM4EPOLBNPSR1L3MBTL1
Hydrochloric Acid SCHEMBL2221555 0.82 MAPT (0.49) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2222904 0.81 MAPT (0.55) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2221551 0.81 MAPT (0.66) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2221569 0.81 MAPT (0.54) MAPTKDM4EPOLBNPSR1L3MBTL1

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-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed