SCHEMBL20976809

SCHEMBL20976809

Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4N/N=C\C=N)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
SCHEMBL20976806 0.84 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL20976798 0.82 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL20976807 0.80 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL1672239 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671353 0.78 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671113 0.77 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1673071 0.76 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20976822 0.75 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1672183 0.74 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1670955 0.74 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 1 patent. 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