SCHEMBL27928879

SCHEMBL27928879

COc1cccc(OC)c1C1CCCCC(C=O)N1Cc1cncc(-c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.68
HCRTR2 O43614 20/20 0.68

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
SCHEMBL27911042 0.89 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL27928748 0.89 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL28804941 0.87 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL27928740 0.87 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL27911108 0.87 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL27928750 0.86 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL27911057 0.85 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL27928831 0.85 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL27911060 0.84 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL28804884 0.83 HCRTR1 (0.66) 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
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 CN disclosed