SCHEMBL5858633

SCHEMBL5858633

N#Cc1cccc(OCCCCCN2CCCC2)c1.[H+]

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.71
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
TSHR P16473 1/20 0.60
HRH1 P35367 2/20 0.58
HRH2 P25021 1/20 0.58
CCR3 P51677 1/20 0.55

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
SCHEMBL491737 0.99 HRH3 (0.72) HRH3KDM4EALDH1A1TSHRHRH1
SCHEMBL30357733 0.89 LTA4H (0.61) HRH3KDM4EALDH1A1HRH1HRH2
SCHEMBL5856461 0.85 HRH3 (0.97) HRH3HRH1HRH2
SCHEMBL5856359 0.83 HRH3 (0.94) HRH3HRH1HRH2
SCHEMBL491835 0.83 HRH3 (1.00) HRH3HRH1HRH2
SCHEMBL7388461 0.83 TBXAS1 (0.56) HRH1CCR3
SCHEMBL491659 0.82 HRH3 (0.97) HRH3HRH1HRH2
SCHEMBL8796178 0.82 HRH3 (0.68) HRH3KDM4EALDH1A1TSHRHRH1
SCHEMBL5288608 0.81 HRH3 (0.79) HRH3HRH1HRH2
SCHEMBL492176 0.80 HRH3 (0.79) HRH3KDM4EALDH1A1

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