SCHEMBL3343689

SCHEMBL3343689

CN(C)c1nc(C(=O)N2CCOC2CN)c(-c2ccc(F)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.43
HCRTR2 O43614 15/20 0.43

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
SCHEMBL3348010 0.89 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3343787 0.87 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3350773 0.87 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3343687 0.85 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3343999 0.82 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2056642 0.82 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2636341 0.77 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3348274 0.75 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3348002 0.75 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3343770 0.74 HCRTR1 (0.49) 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
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