SCHEMBL7873848

SCHEMBL7873848

Cc1ccc(-n2cccn2)c(C(=O)N2C[C@@H]3C[C@@H]3CC2COc2ccc(C(F)(F)F)cn2)n1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.54
HCRTR2 O43614 7/20 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
SCHEMBL609427 1.00 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL611430 0.89 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL10121829 0.89 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL10121824 0.86 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL3386651 0.86 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL608587 0.84 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL7871769 0.84 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL607949 0.84 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL7869499 0.83 CYP3A4 (0.54) HCRTR1HCRTR2
SCHEMBL610097 0.83 CYP3A4 (0.54) 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-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed