SCHEMBL5278138

SCHEMBL5278138

C1=CCN(CCCCCOc2ccccc2)CC1.O=[N+]([O-])c1ccc(OCCCCCN2CCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.73
LTA4H P09960 2/20 0.57
PTGS2 P35354 2/20 0.57
PTGS1 P23219 1/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HRH4 Q9H3N8 5/20 0.55
KCNH2 Q12809 3/20 0.53
MAOA P21397 1/20 0.52
HRH1 P35367 1/20 0.51

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 0.85 HRH3 (1.00) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL5857282 0.84 HRH3 (0.97) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL4994427 0.83 HRH3 (0.94) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL491864 0.83 MAOA (0.59) HRH3HRH4KCNH2MAOA
SCHEMBL7394783 0.83 HRH3 (0.50) HRH3KDM4EALDH1A1TDP1HRH4
SCHEMBL4453239 0.80 HRH3 (0.89) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL5279316 0.80 HRH3 (0.88) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL21814264 0.79 HRH3 (0.86) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL491607 0.79 HRH3 (0.86) HRH3LTA4HPTGS2PTGS1KDM4E
SCHEMBL5856034 0.78 HRH3 (0.84) HRH3LTA4HPTGS2PTGS1KDM4E

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-1863486-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 EP disclosed
WO-2006103537-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO disclosed