SCHEMBL1672280

SCHEMBL1672280

Cc1cccc(-c2ccc(F)cc2C(=O)C2NCC3CN(c4nc(C)cc(C)n4)C=C32)n1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.54
HCRTR1 O43613 19/20 0.54

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
SCHEMBL1671709 0.90 HCRTR1 (0.56) HCRTR2HCRTR1
SCHEMBL1671568 0.87 HCRTR1 (0.55) HCRTR2HCRTR1
SCHEMBL1672257 0.86 HCRTR1 (0.56) HCRTR2HCRTR1
SCHEMBL1671489 0.85 HCRTR1 (0.43) HCRTR2HCRTR1
SCHEMBL1671116 0.85 HCRTR1 (0.56) HCRTR2HCRTR1
SCHEMBL1671733 0.85 HCRTR1 (0.56) HCRTR2HCRTR1
SCHEMBL1671978 0.83 HCRTR2 (0.57) HCRTR2HCRTR1
SCHEMBL1671466 0.83 HCRTR2 (0.56) HCRTR2HCRTR1
SCHEMBL1671100 0.82 HCRTR1 (0.54) HCRTR2HCRTR1
SCHEMBL1671905 0.80 HCRTR1 (0.56) HCRTR2HCRTR1

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
EP-2491038-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2012-08-29 EP disclosed
WO-2011050198-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed