SCHEMBL2224288

SCHEMBL2224288

CC(C)c1cccnc1N1CCN(Cc2ccc(Sc3ccccc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.50
HTR3B O95264 4/20 0.50
HTR3A P46098 4/20 0.50
HTR3D Q70Z44 4/20 0.50
HTR3C Q8WXA8 4/20 0.50
HTR1A P08908 3/20 0.50
HTR2C P28335 2/20 0.50
HSD11B1 P28845 1/20 0.50
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMO Q99835 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2224449 0.90 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14485700 0.80 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14485560 0.80 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12516115 0.79 MAPT (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL2222271 0.79 MAPT (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2222751 0.76 ALDH1A1 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2224622 0.73 CCR8 (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2221291 0.72 KDM4E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2222316 0.72 MEN1 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19107154 0.72 HRH4 (0.50) 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 2 patents. 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 claimed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO claimed