SCHEMBL4686646

SCHEMBL4686646

CN(C(=O)c1ccc(OCCCN2CC3CCCC3C2)cc1)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.66
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAOB P27338 1/20 0.49
HTR2A P28223 2/20 0.48
HRH2 P25021 2/20 0.47
HRH1 P35367 2/20 0.47
KDM4E B2RXH2 1/20 0.46

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 SCHEMBL4488513 0.97 HRH3 (0.62) HRH3LMNAMAPTMEN1KMT2A
SCHEMBL4507442 0.89 HRH3 (0.69) HRH3LMNAMEN1KMT2AMAOB
SCHEMBL4493848 0.89 HRH3 (0.68) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4489369 0.89 HRH3 (0.72) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4622461 0.85 HRH3 (0.67) HRH3MAOBHTR2AHRH2HRH1
Oxalic Acid SCHEMBL4485952 0.85 HRH3 (0.67) HRH3MAPTMEN1KMT2AMAOB
SCHEMBL4621749 0.85 HRH3 (0.69) HRH3MAOBHTR2AHRH2HRH1
SCHEMBL4621772 0.85 HRH3 (0.70) HRH3MAOBHTR2AHRH2HRH1
SCHEMBL4621919 0.84 HRH3 (0.66) HRH3MAOBHRH2HRH1KDM4E
SCHEMBL4620858 0.84 HRH3 (0.69) HRH3LMNAMAPTMAOBHTR2A

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