SCHEMBL13627403

SCHEMBL13627403

Nc1cccc(OC2CN(C(=O)N3CCCN(C4CCC4)CC3)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.53
KCNH2 Q12809 6/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL1507207 0.88 HRH3 (0.67) HRH3KCNH2
SCHEMBL1507169 0.88 HRH3 (0.67) HRH3KCNH2
SCHEMBL1507219 0.88 HRH3 (0.63) HRH3KCNH2
SCHEMBL13627402 0.86 HRH3 (0.54) HRH3KCNH2
SCHEMBL1506950 0.85 MGLL (0.61) HRH3KCNH2
SCHEMBL1507312 0.85 HRH3 (0.52) HRH3KCNH2
SCHEMBL1507189 0.85 HRH3 (0.53) HRH3KCNH2
SCHEMBL1507029 0.84 HRH3 (0.50) HRH3KCNH2
SCHEMBL1507011 0.84 HRH3 (0.53) HRH3KCNH2MEN1KMT2A
SCHEMBL1506971 0.84 HRH3 (0.57) HRH3KCNH2

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
WO-2009135842-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-11-12 WO disclosed