SCHEMBL4753124

SCHEMBL4753124

COc1ccc(CN2CCN(c3ccccc3OC)CC2)c(OC)c1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.81
TSHR P16473 2/20 0.81
LMNA P02545 3/20 0.80
HTT P42858 2/20 0.74
TDP1 Q9NUW8 1/20 0.74
DRD2 P14416 4/20 0.68
DRD4 P21917 4/20 0.68
DRD3 P35462 4/20 0.68
HRH2 P25021 3/20 0.68
HRH1 P35367 2/20 0.68
HTR7 P34969 4/20 0.68
MAPK1 P28482 1/20 0.67
MAPT P10636 2/20 0.67
ALOX15 P16050 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HSD17B10 Q99714 1/20 0.67
ALDH1A1 P00352 1/20 0.64
KMT2A Q03164 1/20 0.64
HRH3 Q9Y5N1 1/20 0.62

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
SCHEMBL6906326 0.83 KDM4E (0.67) KDM4ETSHRLMNAHTTTDP1
SCHEMBL2316528 0.82 KDM4E (0.77) KDM4ETSHRLMNATDP1MAPK1
SCHEMBL4772684 0.82 KDM4E (0.69) KDM4ETSHRLMNAHTTTDP1
SCHEMBL15938480 0.81 HTR7 (1.00) KDM4ETSHRDRD2DRD4DRD3
SCHEMBL15937925 0.81 HTR7 (1.00) KDM4ETSHRLMNAHTTTDP1
SCHEMBL4754210 0.80 KDM4E (1.00) KDM4ETSHRLMNAHTTTDP1
SCHEMBL9831262 0.80 KDM4E (0.64) KDM4ETSHRLMNATDP1MAPK1
SCHEMBL28191688 0.79 KDM4E (0.63) KDM4ETSHRLMNATDP1MAPK1
SCHEMBL9720709 0.78 KDM4E (0.71) KDM4ETSHRLMNAHTTTDP1
SCHEMBL15937713 0.78 HTR7 (1.00) KDM4ELMNAHTTTDP1DRD2

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
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO claimed
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO disclosed