SCHEMBL1671125

SCHEMBL1671125

Cc1cc(C)nc(N2C=C3C(CNC3C(=O)c3ccc(F)cc3-c3ncco3)C2)n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.57
HCRTR2 O43614 16/20 0.57
ADRA1A P35348 2/20 0.37
ADRA2A P08913 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1B P35368 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
SCHEMBL1671978 0.93 HCRTR2 (0.57) HCRTR1HCRTR2ADRA1AADRA2AADRA1D
SCHEMBL1671100 0.87 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1671466 0.85 HCRTR2 (0.56) HCRTR1HCRTR2
SCHEMBL1673153 0.84 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1671097 0.84 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1671905 0.83 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1671568 0.82 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1673066 0.81 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1671733 0.80 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1671709 0.80 HCRTR1 (0.56) 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