SCHEMBL1398698

SCHEMBL1398698

O=C(NC[C@H]1CCN1C(=O)c1ccccc1-c1ccccc1)c1cccc2occc12

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.60
HCRTR2 O43614 18/20 0.60

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
SCHEMBL1398579 1.00 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1398628 1.00 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1398722 0.93 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL1398954 0.93 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1398825 0.91 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL1398895 0.91 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1398818 0.89 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1398816 0.89 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1398945 0.89 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1398636 0.89 HCRTR1 (0.55) 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
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed