SCHEMBL1572341

SCHEMBL1572341

Cc1cn2c(C(=O)NCC3CC4C[C@@H]4N3C(=O)c3nc(N)sc3-c3cccc(F)c3)cnc2s1

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
SCHEMBL1571750 1.00 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1571525 0.88 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL1571747 0.87 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1572443 0.86 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL1572297 0.84 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1571489 0.84 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1571763 0.83 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1571866 0.83 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1572006 0.83 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1571704 0.83 HCRTR1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 EP disclosed