SCHEMBL1673010

SCHEMBL1673010

Cc1cc(C)nc(N2C=C3C(CNC3C(=O)c3cccc4cccnc34)C2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.51
HCRTR2 O43614 17/20 0.51
PARP1 P09874 1/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL1671561 0.87 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1672008 0.83 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL1671893 0.82 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1673026 0.81 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1671100 0.80 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1671888 0.80 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL1671733 0.80 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1671068 0.80 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1671097 0.79 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1673101 0.79 HCRTR1 (0.55) 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