SCHEMBL1672504

SCHEMBL1672504

COc1ccc(C(=O)C2NCC3CN(c4cnc5cc(F)c(F)cc5n4)CC32)c(-n2nccn2)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.71
HCRTR2 O43614 20/20 0.71

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
SCHEMBL6925300 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1673069 0.82 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL1671957 0.78 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672506 0.78 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1671309 0.76 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL13735746 0.75 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1673064 0.72 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL13736449 0.70 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL13736213 0.69 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL1672044 0.68 HCRTR1 (0.68) 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