SCHEMBL4597058

SCHEMBL4597058

CC(=O)c1ccc(OCCCN2CC(C)C[C@H](C)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.64
HRH1 P35367 4/20 0.64
KDM4E B2RXH2 3/20 0.61
HRH3 Q9Y5N1 9/20 0.60
MAOB P27338 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
GAA P10253 1/20 0.56

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
SCHEMBL4094705 1.00 HRH2 (0.64) HRH2HRH1KDM4EHRH3MAOB
SCHEMBL492475 1.00 HRH2 (0.64) HRH2HRH1KDM4EHRH3MAOB
SCHEMBL492041 1.00 HRH2 (0.64) HRH2HRH1KDM4EHRH3MAOB
SCHEMBL492040 1.00 HRH2 (0.64) HRH2HRH1KDM4EHRH3MAOB
SCHEMBL7390114 0.93 HRH2 (0.66) HRH2HRH1KDM4EHRH3KMT2A
SCHEMBL5283396 0.91 KDM4E (0.64) HRH2HRH1KDM4EHRH3SMN1; SMN2
SCHEMBL12050600 0.89 HRH3 (0.60) HRH2HRH1KDM4EHRH3MAOB
SCHEMBL12050598 0.89 KDM4E (0.63) HRH2HRH1KDM4EHRH3MAOB
SCHEMBL4101087 0.87 KDM4E (0.66) HRH2HRH1KDM4EHRH3MAOB
SCHEMBL4101085 0.87 KDM4E (0.66) HRH2HRH1KDM4EHRH3MAOB

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