SCHEMBL1572834

SCHEMBL1572834

Cc1nc(C(=O)N2[C@H](C(N)=O)C[C@@H]3C[C@@H]32)c(-c2cccc(Cl)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.48
HCRTR2 O43614 20/20 0.48

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
SCHEMBL1572835 1.00 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3248850 0.92 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1572128 0.90 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1572299 0.90 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1572124 0.90 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1572196 0.89 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1572485 0.89 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1572506 0.88 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1572508 0.88 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1572618 0.87 HCRTR1 (0.46) 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 3 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
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed