SCHEMBL17656336

SCHEMBL17656336

Cc1cc(C)nc(N2CC3CN(C(=O)c4cnccc4N4C=CNN4)CC3C2)n1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.65
HCRTR2 O43614 20/20 0.65

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
SCHEMBL1671744 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671275 0.71 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1673100 0.70 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671694 0.70 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11920242 0.70 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL1671332 0.70 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671102 0.70 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL1671647 0.69 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671336 0.69 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1670977 0.69 HCRTR1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3093291-B1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-05-08 EP disclosed
EP-2491038-B1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-06 EP disclosed