SCHEMBL1671707

SCHEMBL1671707

Cc1cc(C)nc(N2CC3CNC(C(=O)c4cc(F)ccc4-c4ccccn4)C3C2)n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.68
HCRTR1 O43613 19/20 0.68

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
SCHEMBL1671462 0.93 HCRTR2 (0.68) HCRTR2HCRTR1
SCHEMBL1671562 0.91 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL1672275 0.90 HCRTR2 (0.67) HCRTR2HCRTR1
SCHEMBL1672255 0.88 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL1671730 0.88 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL1673098 0.86 HCRTR1 (0.69) HCRTR2HCRTR1
SCHEMBL1671091 0.85 HCRTR1 (0.67) HCRTR2HCRTR1
SCHEMBL1671868 0.85 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL1671970 0.84 HCRTR1 (0.69) HCRTR2HCRTR1
SCHEMBL1671093 0.82 HCRTR1 (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012145581-A1 DISUBSTITUTED OCTAHY-DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-26 WO disclosed
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