SCHEMBL5855860

SCHEMBL5855860

CC(=O)c1ccc(OCCCN2CCCCC2)cc1.[H+]

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.90
HRH3 Q9Y5N1 12/20 0.71
MAOB P27338 2/20 0.67
HRH2 P25021 2/20 0.67
HRH1 P35367 2/20 0.67
POLB P06746 1/20 0.67
MAPT P10636 1/20 0.67
ALDH1A1 P00352 2/20 0.66
KCNH2 Q12809 2/20 0.65
PSMB1 P20618 1/20 0.65
PSMB5 P28074 1/20 0.65
PSMB2 P49721 1/20 0.65
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
CHRM2 P08172 1/20 0.64
CHRM4 P08173 1/20 0.64
CHRM5 P08912 1/20 0.64
CYP2D6 P10635 1/20 0.64
THRB P10828 1/20 0.64
CYP2C9 P11712 1/20 0.64

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
SCHEMBL491803 0.99 KDM4E (0.92) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL5213285 0.97 KDM4E (0.89) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL6981478 0.97 KDM4E (0.89) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL5856201 0.93 KDM4E (0.78) KDM4EHRH3MAOBALDH1A1THRB
SCHEMBL490099 0.91 KDM4E (0.80) KDM4EHRH3MAOBALDH1A1THRB
SCHEMBL12193816 0.91 KDM4E (0.80) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL6534752 0.90 KDM4E (0.77) KDM4EHRH3ALDH1A1PSMB1PSMB5
SCHEMBL7738349 0.87 KDM4E (0.74) KDM4EHRH3ALDH1A1KCNH2PSMB1
SCHEMBL5286039 0.87 KDM4E (0.76) KDM4EHRH3MAOBHRH2HRH1
SCHEMBL6052612 0.85 KDM4E (0.71) KDM4EHRH3MAOBALDH1A1THRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138413-B1 Administering tertiary amines, e.g., 3,3-Dimethylbutyl 3-piperidinopropyl ether, 3-Phenylpropyl 3-piperidinopropyl ether, or3-(4-Chlorophenyl)propyl 3-piperidinopropyl ether to treat cognitive disorders such as attention, wakefulness and memory disorders SOCIETE CIVILE BIOPROJET (FR) 2006-11-21 US disclosed