SCHEMBL7868698

SCHEMBL7868698

Cc1ccc(-c2ncccn2)c(C(=O)N2CC(C)[C@@H](C)C[C@H]2COc2cc(Cl)cc(Cl)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.50
HCRTR2 O43614 16/20 0.50

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
SCHEMBL608522 0.90 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL610548 0.90 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL610127 0.90 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL7868602 0.89 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL10145429 0.88 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL611464 0.81 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL609563 0.81 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL610534 0.81 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL609512 0.80 HCRTR2 (0.54) HCRTR1HCRTR2
SCHEMBL609172 0.79 HCRTR1 (0.43) 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