SCHEMBL6430669

SCHEMBL6430669

Cc1noc(-c2ccccc2CN2CCCC3(CCNCC3)C2=O)n1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 19/20 0.73
HCRTR1 O43613 14/20 0.73
ADRA1A P35348 1/20 0.41

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
SCHEMBL2133572 0.84 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL2025125 0.81 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL2131676 0.79 HCRTR2 (0.72) HCRTR2HCRTR1
SCHEMBL9949024 0.79 HCRTR2 (0.91) HCRTR2HCRTR1
SCHEMBL9949185 0.76 HCRTR2 (0.78) HCRTR2HCRTR1
SCHEMBL9948821 0.76 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL6423359 0.76 HCRTR2 (0.64) HCRTR2HCRTR1
SCHEMBL6422976 0.76 HCRTR2 (0.44) HCRTR2HCRTR1
SCHEMBL12641223 0.74 HCRTR2 (0.63) HCRTR2HCRTR1
SCHEMBL9948770 0.74 HCRTR2 (0.79) HCRTR2HCRTR1

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-2012055888-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2012-05-03 WO disclosed