SCHEMBL3348002

SCHEMBL3348002

CN(C)c1nc(C(=O)N2CCOC2C(N)=O)c(-c2cccc(F)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.44
HCRTR2 O43614 16/20 0.44
TRPM8 Q7Z2W7 4/20 0.38

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
SCHEMBL3343687 0.89 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3343988 0.88 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3348010 0.86 HCRTR1 (0.42) HCRTR1HCRTR2TRPM8
SCHEMBL3350764 0.85 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2635417 0.83 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL3417488 0.79 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3415817 0.79 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3348068 0.78 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2057620 0.78 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL980677 0.77 PIN1 (0.50) TRPM8

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
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO claimed
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO disclosed