SCHEMBL2731385

SCHEMBL2731385

COCc1ccc2[nH]cc(CN3CCCC4(CCC(c5nc(C)cc(C)n5)CC4)C3=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.62
HCRTR1 O43613 17/20 0.62
HTR1A P08908 1/20 0.47
TSPO P30536 1/20 0.47

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
SCHEMBL2133193 0.88 HCRTR2 (0.80) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2133545 0.76 HCRTR2 (0.82) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2131261 0.74 HCRTR2 (1.00) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2131153 0.73 HCRTR2 (1.00) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2131642 0.72 HCRTR2 (0.76) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2130979 0.71 HCRTR2 (0.83) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2138774 0.70 HCRTR2 (0.85) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2131913 0.69 HCRTR2 (0.72) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2131712 0.69 HCRTR2 (0.79) HCRTR2HCRTR1HTR1ATSPO
SCHEMBL2733526 0.69 HCRTR2 (0.63) HCRTR2HCRTR1HTR1ATSPO

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-2632924-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Novartis AG (CH) 2013-09-04 EP claimed
WO-2012055888-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2012-05-03 WO claimed