SCHEMBL1673108

SCHEMBL1673108

COc1cccc(C(=O)N2CC3CN(c4nc(C)cc(C)n4)CC3C2)c1-c1c[nH]nn1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.69
HCRTR2 O43614 20/20 0.69

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
SCHEMBL1671537 0.85 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1673105 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671154 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671114 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671645 0.81 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL1671620 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671533 0.77 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671468 0.76 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671347 0.75 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1586992 0.74 HCRTR1 (1.00) 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
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