SCHEMBL6908698

SCHEMBL6908698

Cc1nc(N2CC[C@@H]3CN(C(=O)c4cccc(F)c4C4CC=NO4)[C@@H]3C2)nc(C)c1C

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
SCHEMBL6908656 0.95 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL6908142 0.94 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL6909876 0.92 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL6907794 0.83 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL6909381 0.82 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL6909651 0.80 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL1586838 0.80 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL6908569 0.78 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL6908038 0.78 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1586981 0.77 HCRTR1 (0.61) 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