SCHEMBL4540570

SCHEMBL4540570

CCOc1cc(F)ccc1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 20/20 1.00

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
SCHEMBL4531736 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4531737 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4540638 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4540641 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4534410 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4539632 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4534407 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16857983 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4535897 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4535898 0.90 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
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