SCHEMBL2222903

SCHEMBL2222903

O=C(O)c1c(Oc2ccccc2)ccnc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
HSD11B1 P28845 1/20 0.47
FAAH O00519 3/20 0.44
MGLL Q99685 2/20 0.44
HTR7 P34969 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL2222669 0.87 MEN1 (0.47) HTR3EHTR3BHTR1AHTR2CHTR3A
SCHEMBL2222854 0.77 HTR3E (0.47) HTR3EHTR3BHTR1AHTR2CHTR3A
SCHEMBL2222743 0.75 KDM4E (0.58) FAAHALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL13822280 0.75 DRD2 (0.51) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL7235226 0.74 HTR3E (0.61) HTR3EHTR3BHTR1AHTR2CHTR3A
Hydrochloric Acid SCHEMBL2222910 0.74 HTR3E (0.44) HTR3EHTR3BHTR1AHTR2CHTR3A
Hydrochloric Acid SCHEMBL2225698 0.73 FAAH (0.51) FAAHMGLLALDH1A1LMNASMN1; SMN2
SCHEMBL2221587 0.73 HTR3E (0.42) HTR3EHTR3BHTR1AHTR2CHTR3A
SCHEMBL2224886 0.73 MEN1 (0.50) HTR3EHTR3BHTR1AHTR2CHTR3A
Hydrochloric Acid SCHEMBL14485309 0.72 HTR3E (0.43) HTR3EHTR3BHTR1AHTR2CHTR3A

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