SCHEMBL5488668

SCHEMBL5488668

CC(=O)c1ccc(OCCCN2CCC(C)CC2)cc1.CCC(=O)c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
HRH3 Q9Y5N1 12/20 0.62
MAOB P27338 1/20 0.61
HRH2 P25021 4/20 0.58
HRH1 P35367 4/20 0.58
THRB P10828 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
CYP1A2 P05177 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
CHRM5 P08912 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
ADRA2C P18825 1/20 0.58
DRD4 P21917 1/20 0.58
ACHE P22303 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTR2A P28223 1/20 0.58
ADRA1A P35348 1/20 0.58

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
SCHEMBL491850 0.91 HRH3 (0.69) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL5287103 0.91 KDM4E (0.64) KDM4EHRH3MAOBHRH2HRH1
Methyl Alcohol SCHEMBL4133606 0.90 HRH3 (0.67) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL491570 0.89 HRH3 (0.72) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL7395626 0.89 KDM4E (0.54) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL492239 0.88 HRH3 (0.78) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL5280536 0.85 HRH3 (0.62) HRH3CYP2D6
SCHEMBL491803 0.85 KDM4E (0.92) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL5855860 0.84 KDM4E (0.90) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL6981478 0.84 KDM4E (0.89) KDM4EHRH3MAOBHRH2HRH1

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-1863487-A2 TREATMENT OF PARKINSON'S DISEASE, OBSTRUCTIVE SLEEP APNEA, DEMENTIA WITH LEWY BODIES, VASCULAR DEMENTIA WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 EP claimed
WO-2006103546-A2 TREATMENT OF PARKINSON'S DISEASE, OBSTRUCTIVE SLEEP APNEA, DEMENTIA WITH LEWY BODIES, VASCULAR DEMENTIA WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO claimed