SCHEMBL7869079

SCHEMBL7869079

CCOc1ccc(C)nc1C(=O)N1C[C@@H]2C[C@@H]2CC1COc1ncc(C(F)(F)F)cn1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.58
HCRTR1 O43613 11/20 0.55

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
SCHEMBL610884 1.00 HCRTR2 (0.58) HCRTR2HCRTR1
SCHEMBL10121681 1.00 HCRTR2 (0.58) HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL609913 0.99 HCRTR2 (0.57) HCRTR2HCRTR1
SCHEMBL7862854 0.90 HCRTR2 (0.64) HCRTR2HCRTR1
SCHEMBL611060 0.90 HCRTR2 (0.64) HCRTR2HCRTR1
SCHEMBL10121671 0.90 HCRTR2 (0.64) HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL609560 0.89 HCRTR2 (0.64) HCRTR2HCRTR1
SCHEMBL10144933 0.88 HCRTR1 (0.60) HCRTR2HCRTR1
SCHEMBL608476 0.88 HCRTR1 (0.45) HCRTR2HCRTR1
SCHEMBL3387276 0.86 HCRTR2 (0.63) 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