SCHEMBL5857282

SCHEMBL5857282

O=[N+]([O-])c1ccc(OCCCCCN2CCCC2)cc1.[H+]

nearest known ligand 0.97

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.97
LTA4H P09960 1/20 0.73
PTGS1 P23219 1/20 0.73
PTGS2 P35354 1/20 0.73
KDM4E B2RXH2 2/20 0.68
ALDH1A1 P00352 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 1/20 0.61
KCNH2 Q12809 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL490968 0.99 HRH3 (1.00) HRH3LTA4HPTGS1PTGS2KDM4E
SCHEMBL4994427 0.96 HRH3 (0.94) HRH3LTA4HPTGS1PTGS2KDM4E
SCHEMBL5856034 0.93 HRH3 (0.84) HRH3LTA4HPTGS1PTGS2KDM4E
SCHEMBL4453239 0.93 HRH3 (0.89) HRH3LTA4HPTGS1PTGS2KDM4E
SCHEMBL5279316 0.92 HRH3 (0.88) HRH3LTA4HPTGS1PTGS2KDM4E
SCHEMBL491607 0.92 HRH3 (0.86) HRH3LTA4HPTGS1PTGS2KDM4E
SCHEMBL21814264 0.92 HRH3 (0.86) HRH3LTA4HPTGS1PTGS2KDM4E
SCHEMBL519633 0.88 LTA4H (0.91) HRH3LTA4HPTGS1PTGS2KDM4E
SCHEMBL4992188 0.87 LTA4H (0.89) HRH3LTA4HPTGS1PTGS2KDM4E
SCHEMBL28180188 0.86 HRH3 (0.78) HRH3LTA4HPTGS1PTGS2KDM4E

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