SCHEMBL1571979

SCHEMBL1571979

Cc1nc(C(=O)N2[C@H](C(N)=O)C[C@H]3C[C@@H]32)c(-c2ccc(Br)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.51
HCRTR2 O43614 20/20 0.51

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
SCHEMBL1571977 1.00 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3255448 0.91 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1572511 0.90 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1572509 0.90 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1572506 0.89 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1572508 0.89 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1572795 0.88 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL1572793 0.88 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL1572144 0.87 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1572142 0.87 HCRTR1 (0.45) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US claimed
EP-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 EP claimed
EP-2094690-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP claimed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 WO claimed
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
EP-2094690-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP disclosed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 WO disclosed