SCHEMBL2746511

SCHEMBL2746511

CC(=O)Oc1ccccc1NC(=O)c1cc2c(n(CCCS(C)(=O)=O)c1=O)CCCCCC2

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.51
CNR1 P21554 14/20 0.51

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
SCHEMBL2745555 0.89 CNR2 (0.64) CNR2CNR1
SCHEMBL2745601 0.89 CNR2 (0.64) CNR2CNR1
SCHEMBL2745679 0.88 CNR2 (0.63) CNR2CNR1
SCHEMBL2746754 0.87 CNR2 (0.54) CNR2CNR1
SCHEMBL2746504 0.87 CNR2 (0.65) CNR2CNR1
SCHEMBL2746349 0.86 CNR2 (0.53) CNR2CNR1
SCHEMBL2746216 0.85 CNR2 (0.52) CNR2CNR1
SCHEMBL2746514 0.85 CNR2 (0.52) CNR2CNR1
SCHEMBL2745559 0.85 CNR2 (0.64) CNR2CNR1
SCHEMBL2746638 0.84 CNR2 (0.51) CNR2CNR1

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
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed