SCHEMBL7864504

SCHEMBL7864504

Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CCCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 18/20 0.54
HCRTR1 O43613 18/20 0.54

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
SCHEMBL611117 0.82 HCRTR2 (0.54) HCRTR2HCRTR1
SCHEMBL610382 0.82 HCRTR2 (0.61) HCRTR2HCRTR1
SCHEMBL7866579 0.81 HCRTR2 (0.41) HCRTR2HCRTR1
SCHEMBL7867668 0.80 HCRTR2 (0.46) HCRTR2HCRTR1
SCHEMBL3385662 0.80 HCRTR2 (0.55) HCRTR2HCRTR1
SCHEMBL609561 0.80 HCRTR2 (0.63) HCRTR2HCRTR1
SCHEMBL3389817 0.79 HCRTR2 (0.62) HCRTR2HCRTR1
SCHEMBL7874147 0.77 PDE10A (0.37) HCRTR2HCRTR1
SCHEMBL607967 0.76 HCRTR2 (0.56) HCRTR2HCRTR1
SCHEMBL10121887 0.76 HCRTR2 (0.56) HCRTR2HCRTR1

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-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed