SCHEMBL4538622

SCHEMBL4538622

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

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.73
HCRTR2 O43614 20/20 0.73

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
SCHEMBL4536793 0.88 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL4539485 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4541612 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4536452 0.83 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL4538680 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4536034 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4536030 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4540490 0.78 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4536593 0.77 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4536151 0.76 HCRTR1 (0.89) 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