SCHEMBL7946315

SCHEMBL7946315

Cc1cc(CN(CC2CCCCC2)C(=O)C(=O)c2c[nH]c3cc(F)ccc23)no1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.36
ALDH1A1 P00352 4/20 0.35
PKM P14618 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
SLC6A4 P31645 1/20 0.35
DRD2 P14416 4/20 0.35
HTR2A P28223 4/20 0.35
HTR7 P34969 3/20 0.34
KCNH2 Q12809 3/20 0.34
KMT2A Q03164 1/20 0.34
OXTR P30559 1/20 0.33
AVPR1A P37288 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
SCHEMBL7947177 0.88 MAPT (0.50) ALDH1A1MAPTL3MBTL1ROCK2ROCK1
SCHEMBL7938686 0.83 ALDH1A1 (0.40) MAPK14ALDH1A1PKMROCK2ROCK1
SCHEMBL4306639 0.83 MAPK14 (0.37) MAPK14ALDH1A1PKMMAPTL3MBTL1
SCHEMBL7982425 0.82 PKM (0.43) MAPK14ALDH1A1PKMMAPTL3MBTL1
SCHEMBL4315205 0.81 POLB (0.37) MAPK14ALDH1A1PKMMAPTL3MBTL1
SCHEMBL3120950 0.81 ALDH1A1 (0.40) MAPK14ALDH1A1PKMMAPTL3MBTL1
SCHEMBL4304078 0.80 MAPK14 (0.43) MAPK14ALDH1A1PKMMAPTL3MBTL1
SCHEMBL4310271 0.80 ALDH1A1 (0.41) MAPK14ALDH1A1MAPTL3MBTL1ROCK2
SCHEMBL3263677 0.79 GABRA1 (0.45) MAPK14ALDH1A1PKMMAPT
SCHEMBL3121013 0.77 ALDH1A1 (0.40) MAPK14ALDH1A1PKMMAPTL3MBTL1

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-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed