SCHEMBL6908569

SCHEMBL6908569

Cc1nc(N2CC[C@@H]3CN(C(=O)c4cccc(F)c4C4CC=NN4)[C@@H]3C2)nc(C)c1F

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.45
HCRTR2 O43614 20/20 0.45

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
SCHEMBL6907794 0.95 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL6908966 0.94 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL6907825 0.93 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL6909140 0.86 HCRTR2 (0.42) HCRTR1HCRTR2
SCHEMBL6909808 0.85 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL6908656 0.83 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL6909381 0.80 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1586880 0.79 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL6908698 0.78 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1586229 0.78 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011050202-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed