SCHEMBL1671121

SCHEMBL1671121

Cc1cc(C)nc(N2C=C3C(CNC3C(=O)c3ccccc3OC(F)(F)F)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.52
HCRTR1 O43613 14/20 0.52
TTR P02766 2/20 0.35
KCNK3 O14649 2/20 0.35
KCNK9 Q9NPC2 2/20 0.35
HSD11B1 P28845 1/20 0.34
RBP4 P02753 1/20 0.34

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
SCHEMBL1672005 0.80 HCRTR1 (0.50) HCRTR2HCRTR1
SCHEMBL1673026 0.80 HCRTR1 (0.51) HCRTR2HCRTR1
SCHEMBL1673010 0.78 HCRTR1 (0.51) HCRTR2HCRTR1
SCHEMBL1671561 0.78 HCRTR1 (0.53) HCRTR2HCRTR1
SCHEMBL1673137 0.77 HCRTR1 (0.57) HCRTR2HCRTR1
SCHEMBL1671893 0.77 HCRTR1 (0.53) HCRTR2HCRTR1
SCHEMBL1671116 0.77 HCRTR1 (0.56) HCRTR2HCRTR1
SCHEMBL1671100 0.77 HCRTR1 (0.54) HCRTR2HCRTR1
SCHEMBL1672299 0.77 HCRTR1 (0.50) HCRTR2HCRTR1
SCHEMBL1671709 0.77 HCRTR1 (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