SCHEMBL5713465

SCHEMBL5713465

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.39
MMP12 P39900 1/20 0.36
HPGD P15428 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ADRB3 P13945 2/20 0.35
GHSR Q92847 2/20 0.35
ADRB1 P08588 1/20 0.35
FKBP1A P62942 1/20 0.34
CFTR P13569 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 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
SCHEMBL5713443 0.89 HRH3 (0.39) HRH3MMP12GHSRGRIN1GRIN2B
SCHEMBL5713459 0.84 GHSR (0.44) HRH3MMP12GHSRGRIN1GRIN2B
SCHEMBL5713470 0.83 HRH3 (0.39) HRH3
SCHEMBL5713467 0.82 HRH3 (0.38) HRH3ADRB3GHSRADRB1
SCHEMBL5551729 0.81 ESR1 (0.47) GRIN1GRIN2B
SCHEMBL5161049 0.81 HRH3 (0.39) HRH3
SCHEMBL5713478 0.79 HRH3 (0.45) HRH3
SCHEMBL5158947 0.79 HRH3 (0.45) HRH3
SCHEMBL2121244 0.78 ESR1 (0.40)
SCHEMBL6223627 0.78 HRH3 (0.56) 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 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