SCHEMBL27911367

SCHEMBL27911367

COc1cccc(OC)c1C1CCCCC(C=O)N1Cc1cnc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.68
HCRTR2 O43614 18/20 0.68
FAAH O00519 1/20 0.45
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL27928892 0.98 HCRTR1 (0.66) HCRTR1HCRTR2FAAHPDE10A
SCHEMBL27911171 0.86 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL27911195 0.85 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL27911113 0.83 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL27928738 0.81 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL4538870 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL27928879 0.81 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL4539774 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL27911333 0.79 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL27928885 0.79 HCRTR1 (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
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 CN disclosed