SCHEMBL4622753

SCHEMBL4622753

COCCNC(=O)c1ccc(OCCCN2CC3CCCC3C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.66
NPC1 O15118 4/20 0.50
GLA P06280 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
POLB P06746 1/20 0.47
MAOB P27338 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.45

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
Oxalic Acid SCHEMBL4506368 0.97 HRH3 (0.62) HRH3NPC1GLAL3MBTL1HRH2
SCHEMBL4622140 0.91 HRH3 (0.66) HRH3NPC1GLAL3MBTL1HRH2
SCHEMBL4486761 0.90 HRH3 (0.65) HRH3NPC1POLBALDH1A1KMT2A
SCHEMBL4495437 0.89 HRH3 (0.69) HRH3GLAL3MBTL1HRH2HRH1
Oxalic Acid SCHEMBL4489113 0.88 HRH3 (0.62) HRH3NPC1GLAL3MBTL1POLB
SCHEMBL4498063 0.87 HRH3 (0.64) HRH3GLAL3MBTL1POLBMAOB
SCHEMBL4486197 0.86 HRH3 (0.72) HRH3HRH2HRH1MAOBALDH1A1
SCHEMBL14241012 0.86 HRH3 (0.72) HRH3HRH2HRH1MAOBALDH1A1
SCHEMBL4621967 0.86 HRH3 (0.65) HRH3HRH2HRH1MAOBALDH1A1
SCHEMBL4494595 0.85 HRH3 (0.67) HRH3HRH2HRH1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP disclosed
EP-1720544-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2006-11-15 EP disclosed
WO-2005089747-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2005-09-29 WO disclosed