SCHEMBL1673048

SCHEMBL1673048

COc1cc(OC)nc(N2CC3CNC(C(=O)c4ncccc4-c4ccccc4)C3C2)n1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.67
HCRTR2 O43614 19/20 0.67
RBP4 P02753 1/20 0.38

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
SCHEMBL6923980 0.81 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL1673053 0.75 HCRTR2 (0.55) HCRTR1HCRTR2
SCHEMBL13732925 0.72 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1671065 0.72 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL1673117 0.72 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1673097 0.70 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL1671556 0.68 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1673008 0.68 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1672518 0.68 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL11909955 0.67 HCRTR2 (0.66) 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