SCHEMBL6422976

SCHEMBL6422976

CC1N=C(c2ccccc2CN2CCCC3(CCNCC3)C2=O)ON1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.44
HCRTR1 O43613 16/20 0.44

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
SCHEMBL6430669 0.76 HCRTR2 (0.73) HCRTR2HCRTR1
SCHEMBL6423359 0.76 HCRTR2 (0.64) HCRTR2HCRTR1
SCHEMBL12641223 0.71 HCRTR2 (0.63) HCRTR2HCRTR1
SCHEMBL2026638 0.71 HCRTR2 (0.63) HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL2022807 0.71 HCRTR2 (0.62) HCRTR2HCRTR1
SCHEMBL12641233 0.70 MEN1 (0.64) HCRTR2HCRTR1
SCHEMBL2025002 0.68 HCRTR2 (0.70) HCRTR2HCRTR1
SCHEMBL13448276 0.66 HCRTR2 (0.57) HCRTR2HCRTR1
SCHEMBL12641387 0.63 HCRTR2 (0.61) HCRTR2HCRTR1
SCHEMBL3723506 0.63 KMT2A (0.55) 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