SCHEMBL4540762

SCHEMBL4540762

COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccnc1-n1cccn1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.68
HCRTR2 O43614 20/20 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
SCHEMBL4538694 0.97 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL4536383 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4540536 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4535738 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4534302 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16857981 0.79 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL15238270 0.78 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4537939 0.78 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4536986 0.78 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4533003 0.77 HCRTR1 (1.00) HCRTR1HCRTR2

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-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP claimed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO claimed