SCHEMBL5161964

SCHEMBL5161964

CC(C)CC1CN(C(=O)O)CCc2cc(Oc3cnc(N4CCCC4=O)cn3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.40
HRH1 P35367 2/20 0.40
OPRM1 P35372 4/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 4/20 0.39
IDH1 O75874 1/20 0.35
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL5713471 0.90 HRH3 (0.39) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5160929 0.89 HRH3 (0.53) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5161959 0.85 HRH3 (0.42) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5713447 0.84 HRH3 (0.37) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5158952 0.82 HRH3 (0.43) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5161059 0.81 OPRM1 (0.41) HRH3OPRM1OPRD1OPRK1
SCHEMBL5159383 0.79 STAT3 (0.37) OPRM1OPRD1OPRK1KDM4C
SCHEMBL5713479 0.79 HRH3 (0.46) HRH3OPRM1OPRD1OPRK1
SCHEMBL6223629 0.78 HRH3 (0.54) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5713467 0.77 HRH3 (0.38) HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756094-A1 3-CYCLOALKYLBENZAZEPINES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-28 EP disclosed
EP-1735299-A1 TERTRAHYDROBENZAZEPINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed
WO-2005123723-A1 3-CYCLOALKYLBENZAZEPINES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-12-29 WO disclosed
WO-2005097778-A1 TETRAHYDROBENZAZEPINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-10-20 WO disclosed