SCHEMBL4002978

SCHEMBL4002978

Cc1nc(C(=O)C(NC(=O)c2cccc3occc23)[C@@H]2CCN2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.59
HCRTR2 O43614 16/20 0.59

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
SCHEMBL4003868 1.00 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL4003844 0.83 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL4000400 0.81 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL4004071 0.79 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL5802846 0.79 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1398620 0.76 HCRTR1 (0.90) HCRTR1HCRTR2
SCHEMBL1398707 0.76 HCRTR1 (0.90) HCRTR1HCRTR2
SCHEMBL1398677 0.76 HCRTR1 (0.90) HCRTR1HCRTR2
SCHEMBL269854 0.76 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL271167 0.76 HCRTR1 (0.66) 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-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO disclosed