SCHEMBL2222747

SCHEMBL2222747

O=C(O)c1cccnc1N1CCN(Cc2ccc(CNCc3ccccc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.53
HTR3B O95264 3/20 0.53
HTR3A P46098 3/20 0.53
HTR3D Q70Z44 3/20 0.53
HTR3C Q8WXA8 3/20 0.53
HTR1A P08908 3/20 0.53
HTR2C P28335 2/20 0.53
HSD11B1 P28845 1/20 0.53
KMT2A Q03164 1/20 0.50
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CHRM4 P08173 1/20 0.47
HTR7 P34969 3/20 0.47
ALDH1A1 P00352 2/20 0.46
MDM2 Q00987 1/20 0.46
ACHE P22303 2/20 0.45
APP P05067 1/20 0.45
BCHE P06276 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7235226 0.92 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2222383 0.87 ALDH1A1 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2221133 0.86 MAPT (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7239796 0.82 SIGMAR1 (0.54) KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL7233815 0.81 MEN1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7235600 0.79 ALDH1A1 (0.53) KMT2ATSHRALDH1A1
SCHEMBL7234263 0.78 KMT2A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7238619 0.78 L3MBTL1 (0.54) KMT2AHSD17B10
SCHEMBL2224197 0.78 MAPT (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2222915 0.77 MAPT (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed