SCHEMBL4596746

SCHEMBL4596746

CC1C[C@H](C)CN(CCCOc2ccc(C3=NCCC3)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.54
MAOB P27338 2/20 0.54
HRH2 P25021 2/20 0.47
HRH1 P35367 2/20 0.47
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4094061 1.00 HRH3 (0.54) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4094053 1.00 HRH3 (0.54) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4094055 1.00 HRH3 (0.54) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4094182 0.96 HRH3 (0.53) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4094185 0.96 HRH3 (0.53) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4094191 0.96 HRH3 (0.53) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4597538 0.96 HRH3 (0.53) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL12062515 0.87 HRH3 (0.68) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL12062465 0.84 HRH3 (0.67) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL17266474 0.82 KDM4E (0.45) HRH3MAOBHRH2HRH1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874746-A2 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2008-01-09 EP claimed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 WO claimed
EP-1874746-A2 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 WO disclosed