SCHEMBL4536452

SCHEMBL4536452

CCOc1cccc(F)c1C1CC(Cl)C(=O)N1Cc1cccc(Cl)c1OC(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.71
HCRTR2 O43614 20/20 0.71

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
SCHEMBL4538622 0.83 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL4538469 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4538467 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4540525 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4542031 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4542034 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4536136 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4536129 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4532134 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4532130 0.80 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 4 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
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