SCHEMBL5713470

SCHEMBL5713470

CC(C)(C)C1CN(C(=O)O)CCc2cc(Oc3ccc(N4CCCC4=O)nc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.39
HRH1 P35367 2/20 0.37
CNR2 P34972 1/20 0.36
IDH1 O75874 1/20 0.34
KLKB1 P03952 1/20 0.33
AR P10275 1/20 0.33
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL5161959 0.90 HRH3 (0.42) HRH3HRH1IDH1OPRM1OPRD1
SCHEMBL5160920 0.85 HRH3 (0.56) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5713471 0.84 HRH3 (0.39) HRH3HRH1CNR2IDH1ADRA1A
SCHEMBL5713465 0.83 HRH3 (0.39) HRH3
SCHEMBL5713459 0.79 GHSR (0.44) HRH3
SCHEMBL4923707 0.78 NR1H2 (0.46) HRH3HRH1CNR2
SCHEMBL5551729 0.76 ESR1 (0.47)
SCHEMBL5713443 0.76 HRH3 (0.39) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5161049 0.76 HRH3 (0.39) HRH3HRH1OPRM1OPRD1OPRK1
SCHEMBL5161964 0.74 HRH3 (0.40) HRH3HRH1IDH1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735299-A1 TERTRAHYDROBENZAZEPINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed
WO-2005097778-A1 TETRAHYDROBENZAZEPINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-10-20 WO disclosed