SCHEMBL3343770

SCHEMBL3343770

Cc1nc(C(=O)N2CCOC2CN)c(-c2ccc(C)c(C)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.49
HCRTR2 O43614 20/20 0.49

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
SCHEMBL3350773 0.89 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3348074 0.87 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3343787 0.87 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3343763 0.85 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1398994 0.82 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL4787721 0.80 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3345952 0.80 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL3315045 0.79 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3411996 0.77 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3412495 0.77 HCRTR1 (0.48) 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