SCHEMBL5713467

SCHEMBL5713467

CC(C)CC1CN(C(=O)O)CCc2cc(Oc3ccc(Cl)nc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.38
ADRB3 P13945 3/20 0.37
ADRB1 P08588 2/20 0.37
ACACB O00763 1/20 0.35
GHSR Q92847 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL5713447 0.89 HRH3 (0.37) HRH3MTNR1B
SCHEMBL5713471 0.84 HRH3 (0.39) HRH3ACACB
SCHEMBL5551732 0.82 MTNR1B (0.50) MTNR1B
SCHEMBL5713465 0.82 HRH3 (0.39) HRH3ADRB3ADRB1GHSR
SCHEMBL5161059 0.82 OPRM1 (0.41) HRH3
SCHEMBL5713479 0.80 HRH3 (0.46) HRH3
SCHEMBL5158952 0.80 HRH3 (0.43) HRH3MTNR1B
SCHEMBL6223629 0.79 HRH3 (0.54) HRH3
SCHEMBL5165139 0.79 GRIN1 (0.54) HRH3GHSR
SCHEMBL2124647 0.79 ESR1 (0.44)

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