SCHEMBL13628510

SCHEMBL13628510

Nc1ccc(O[C@H]2C[C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.59
KCNH2 Q12809 7/20 0.59

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
SCHEMBL13628044 1.00 HRH3 (0.59) HRH3KCNH2
SCHEMBL1507141 0.87 HRH3 (0.74) HRH3KCNH2
SCHEMBL1507187 0.87 HRH3 (0.74) HRH3KCNH2
SCHEMBL1507326 0.87 HRH3 (0.74) HRH3KCNH2
SCHEMBL7887253 0.84 CHRNA7 (0.54) HRH3KCNH2
SCHEMBL13627402 0.82 HRH3 (0.54) HRH3KCNH2
SCHEMBL1507272 0.80 HRH3 (0.51) HRH3KCNH2
SCHEMBL1507273 0.80 HRH3 (0.51) HRH3KCNH2
SCHEMBL7893397 0.80 L3MBTL3 (0.55) HRH3
SCHEMBL13628489 0.78 HRH3 (0.49) 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