SCHEMBL2224622

SCHEMBL2224622

CC(C)c1cccnc1N1CCN(Cc2ccccc2Oc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.43
KCNH2 Q12809 2/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
HTR1A P08908 2/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
BCHE P06276 1/20 0.41
CYP19A1 P11511 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR2C P28335 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL14485572 0.81 MAPT (0.57) CCR8KCNH2KDM4EBCHEALDH1A1
SCHEMBL2224492 0.75 MAPT (0.65) CCR8KCNH2KDM4EALDH1A1MAPT
SCHEMBL2225418 0.75 MAPT (0.55) CCR8KCNH2KDM4EMAPK1HTR7
SCHEMBL2225865 0.74 MAPT (0.57) CCR8KCNH2KDM4EHTR2AALDH1A1
SCHEMBL2224288 0.73 HTR3E (0.50) KDM4EHTR1AHTR3EHTR3BHTR2C
SCHEMBL14485560 0.73 HTR3E (0.50) KDM4EHTR1AHTR3EHTR3BHTR2C
SCHEMBL2223004 0.73 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2LMNAALOX12
SCHEMBL2221291 0.72 KDM4E (0.52) KDM4EHTR1AHTR3EHTR3BHTR2C
SCHEMBL2224409 0.72 MAPT (0.52) KDM4EHTR1AHTR7HTR6MAPT
SCHEMBL2224449 0.71 HTR3E (0.47) KDM4EHTR1AHTR3EHTR3BHTR2C

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