SCHEMBL1587350

SCHEMBL1587350

Cc1cc(C)nc(N2CCC3CN(C(=O)c4ccc(C)nc4-n4ccnn4)C3C2)n1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.73
HCRTR2 O43614 20/20 0.73

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
SCHEMBL1586277 1.00 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL14983148 0.92 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL1586162 0.92 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL1586730 0.87 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL1586728 0.87 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL1586228 0.86 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1586333 0.85 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL1587501 0.85 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL1586965 0.85 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL1587548 0.85 HCRTR1 (0.75) 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-2491031-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2012-08-29 EP disclosed
WO-2011050202-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed