SCHEMBL2222572

SCHEMBL2222572

CCN(Cc1cccc(CNC(C)Cc2c(F)cccc2Cl)c1)[C@@H]1CCN(c2ncccc2C(=O)OC(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.41
OPRK1 P41145 7/20 0.37
MALT1 Q9UDY8 4/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
KIF18A Q8NI77 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2224105 0.95 MAPT (0.43) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2222576 0.89 MAPT (0.44) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL12517306 0.84 MAPT (0.52) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2224108 0.84 L3MBTL1 (0.44) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL14650600 0.84 MAPT (0.44) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2225299 0.83 MAPT (0.42) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2225036 0.83 MAPT (0.50) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2224662 0.81 MAPT (0.52) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2222833 0.80 MAPT (0.47) MAPTL3MBTL1KDM4EPOLBNPSR1
SCHEMBL2222782 0.80 MAPT (0.51) MAPTL3MBTL1KDM4EPOLBNPSR1

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