SCHEMBL4597205

SCHEMBL4597205

Cc1ccc(-c2ccc(OCCCN3CC(C)C[C@H](C)C3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.62
MAOB P27338 1/20 0.62
HRH2 P25021 3/20 0.54
HRH1 P35367 3/20 0.54
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL4093906 1.00 HRH3 (0.62) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4093895 1.00 HRH3 (0.62) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4093901 1.00 HRH3 (0.62) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL491668 0.89 HRH3 (0.72) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL491666 0.89 HRH3 (0.72) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL491637 0.89 HRH3 (0.72) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4083966 0.89 HRH3 (0.72) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4096639 0.86 HRH3 (0.60) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4096636 0.86 HRH3 (0.60) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4597204 0.86 HRH3 (0.60) 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 2 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 disclosed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 WO disclosed