SCHEMBL4622140

SCHEMBL4622140

CCCNC(=O)c1ccc(OCCCN2CC3CCCC3C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.66
GLA P06280 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.48
SLC6A5 Q9Y345 1/20 0.48
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47

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 SCHEMBL4489113 0.97 HRH3 (0.62) HRH3GLAL3MBTL1NPC1RAB9A
SCHEMBL4622753 0.91 HRH3 (0.66) HRH3GLAL3MBTL1NPC1RAB9A
SCHEMBL4495437 0.91 HRH3 (0.69) HRH3GLAL3MBTL1HRH2HRH1
Oxalic Acid SCHEMBL4506368 0.88 HRH3 (0.62) HRH3GLAL3MBTL1NPC1MEN1
SCHEMBL4486761 0.88 HRH3 (0.65) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL4498063 0.87 HRH3 (0.64) HRH3GLAL3MBTL1POLB
SCHEMBL4486197 0.86 HRH3 (0.72) HRH3MEN1KMT2AHRH2HRH1
SCHEMBL14241012 0.86 HRH3 (0.72) HRH3MEN1KMT2AHRH2HRH1
SCHEMBL4622251 0.86 HRH3 (0.62) HRH3MEN1KMT2AHRH2HRH1
SCHEMBL4494595 0.85 HRH3 (0.67) HRH3HRH2HRH1

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 1 patent. 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