SCHEMBL4560924

SCHEMBL4560924

COc1ccc2cocc2c1C1CCCC(=O)N1Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.81
HCRTR2 O43614 20/20 0.81

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
SCHEMBL4538458 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4536704 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4541940 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL15238290 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4538298 0.81 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL4540613 0.80 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL4561667 0.79 HCRTR2 (0.72) HCRTR1HCRTR2
SCHEMBL4542479 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4535731 0.77 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4532405 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 disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO disclosed