SCHEMBL13627774

SCHEMBL13627774

Nc1ccc(COC2CN(C(=O)N3CCCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
HRH3 Q9Y5N1 18/20 0.42
KCNH2 Q12809 5/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1507061 0.89 HRH3 (0.48) FAAHHRH3KCNH2
SCHEMBL1507231 0.89 HRH3 (0.51) HRH3KCNH2
SCHEMBL1507050 0.86 HRH3 (0.51) FAAHHRH3KCNH2
SCHEMBL13627402 0.84 HRH3 (0.54) HRH3KCNH2
SCHEMBL1507240 0.83 FAAH (0.47) FAAHHRH3KCNH2
SCHEMBL13628489 0.80 HRH3 (0.49) HRH3KCNH2
SCHEMBL16208263 0.78 FAAH (0.47) FAAHHRH3
SCHEMBL13627454 0.77 HRH3 (0.54) HRH3KCNH2
SCHEMBL13627403 0.76 HRH3 (0.53) HRH3KCNH2MEN1KMT2A
SCHEMBL1507219 0.76 HRH3 (0.63) 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