SCHEMBL13822342

SCHEMBL13822342

Cc1ccccc1C(=O)Nc1cccc(CN2CCN(c3ncccc3C(=O)OC(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ACKR3 P25106 11/20 0.51
LMNA P02545 2/20 0.50
BCHE P06276 1/20 0.46
KIF18A Q8NI77 3/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
Hydrochloric Acid SCHEMBL2225153 0.99 MAPT (0.52) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL2222628 0.91 MAPT (0.54) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL2222789 0.89 MAPT (0.52) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL14632680 0.86 MAPT (0.51) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL2226372 0.83 MAPT (0.56) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL2222287 0.83 MAPT (0.53) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL2225327 0.83 MAPT (0.55) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL12516114 0.83 MAPT (0.59) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL2222568 0.83 MAPT (0.61) MAPTKDM4ENPSR1POLBL3MBTL1
SCHEMBL2224333 0.83 MAPT (0.61) MAPTKDM4ENPSR1POLBL3MBTL1

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-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed