SCHEMBL7861881

SCHEMBL7861881

Cc1ccc(-c2nc(C)no2)c(C(=O)N2C[C@@H]3CC3C[C@H]2CO)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.44
HCRTR2 O43614 16/20 0.44
OPRK1 P41145 3/20 0.41
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL607971 1.00 HCRTR1 (0.44) HCRTR1HCRTR2OPRK1PIK3CDPIK3CB
SCHEMBL610084 0.85 HCRTR2 (0.45) HCRTR1HCRTR2
SCHEMBL607935 0.82 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL608855 0.82 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL610630 0.82 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL7866579 0.81 HCRTR2 (0.41) HCRTR1HCRTR2OPRK1
SCHEMBL607593 0.81 HCRTR2 (0.50) HCRTR1HCRTR2
SCHEMBL608175 0.81 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL7869493 0.81 HCRTR2 (0.50) HCRTR1HCRTR2
SCHEMBL609561 0.81 HCRTR2 (0.63) 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