SCHEMBL4536645

SCHEMBL4536645

COc1cccc(F)c1C1CC(C)CN1Cc1ccnc(-c2ncc(C)s2)c1

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
SCHEMBL4536238 0.94 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL4540690 0.86 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL4536859 0.85 HCRTR1 (0.74) HCRTR1HCRTR2
SCHEMBL4533898 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4539040 0.78 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL15238591 0.78 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4542385 0.72 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4541267 0.72 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4560858 0.66 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL4540312 0.66 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