SCHEMBL7871769

SCHEMBL7871769

Cc1ccc(Cl)c(C(=O)N2CC3C[C@@H]3C[C@H]2COc2ccc(C(F)(F)F)cn2)n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.49
HCRTR2 O43614 9/20 0.49

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
SCHEMBL607949 1.00 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL608476 0.90 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL611060 0.88 HCRTR2 (0.64) HCRTR1HCRTR2
SCHEMBL10121671 0.88 HCRTR2 (0.64) HCRTR1HCRTR2
SCHEMBL7862854 0.88 HCRTR2 (0.64) HCRTR1HCRTR2
SCHEMBL609472 0.88 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL7865666 0.88 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL706969 0.87 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL609382 0.87 HCRTR1 (0.57) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL609560 0.87 HCRTR2 (0.64) 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