SCHEMBL1572633

SCHEMBL1572633

Cc1nc(C(=O)N2[C@H](CN)C[C@@H]3C[C@@H]32)c(-c2ccccc2C(F)(F)F)s1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.45
HCRTR2 O43614 20/20 0.45

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
SCHEMBL1572631 0.86 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL1572629 0.86 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL1572140 0.85 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1572510 0.85 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1572849 0.84 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL1572744 0.84 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL1572219 0.82 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1571652 0.82 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1572657 0.82 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL1572222 0.82 HCRTR1 (0.63) 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 5 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