SCHEMBL6423312

SCHEMBL6423312

Bc1ccccc1CN1CCCC2(CCN(c3nc(C)cc(C)n3)CC2)C1=O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.68
HCRTR1 O43613 15/20 0.68

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
SCHEMBL2136349 0.88 HCRTR2 (0.68) HCRTR2HCRTR1
SCHEMBL2132291 0.87 HCRTR2 (0.67) HCRTR2HCRTR1
SCHEMBL2134175 0.84 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL6423720 0.83 HCRTR2 (0.62) HCRTR2HCRTR1
SCHEMBL2130959 0.82 HCRTR2 (0.71) HCRTR2HCRTR1
SCHEMBL2133669 0.81 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL2131153 0.81 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL2133572 0.81 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL2133267 0.81 HCRTR1 (0.66) HCRTR2HCRTR1
SCHEMBL2132500 0.80 HCRTR2 (0.74) 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