SCHEMBL1673053

SCHEMBL1673053

COc1cc(OC)nc(N2C=C3C(CNC3C(=O)c3ncccc3-c3ccccc3)C2)n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.55
HCRTR1 O43613 15/20 0.55
CHEK1 O14757 1/20 0.35
JAK2 O60674 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MLNR O43193 1/20 0.33

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
SCHEMBL11909955 0.78 HCRTR2 (0.66) HCRTR2HCRTR1CHEK1JAK2PDE10A
SCHEMBL1673048 0.75 HCRTR1 (0.67) HCRTR2HCRTR1
SCHEMBL1671068 0.73 HCRTR1 (0.52) HCRTR2HCRTR1
SCHEMBL1673123 0.73 HCRTR1 (0.54) HCRTR2HCRTR1
SCHEMBL6923980 0.71 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL1673010 0.69 HCRTR1 (0.51) HCRTR2HCRTR1
SCHEMBL1671655 0.69 HCRTR1 (0.55) HCRTR2HCRTR1
SCHEMBL1671874 0.68 HCRTR1 (0.56) HCRTR2HCRTR1
SCHEMBL1671733 0.67 HCRTR1 (0.56) HCRTR2HCRTR1
SCHEMBL1671466 0.67 HCRTR2 (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 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