SCHEMBL1672506

SCHEMBL1672506

COc1ccc(C(=O)C2NCC3CN(c4cnc5cc(F)c(F)cc5n4)C=C32)c(-n2nccn2)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.59
HCRTR2 O43614 19/20 0.59

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
SCHEMBL1673070 0.83 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1672504 0.78 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL1671311 0.76 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL13735756 0.74 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL6925300 0.74 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL13736230 0.70 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1671957 0.69 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL13732938 0.69 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1672051 0.69 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1672299 0.68 HCRTR1 (0.50) 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