SCHEMBL5524940

SCHEMBL5524940

O=C(N[C@@H](C(=O)O)c1ccccc1)c1cc2c(n(Cc3ccc(Cl)cc3)c1=O)CCCCCC2

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.70
CNR1 P21554 18/20 0.70

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
SCHEMBL2746541 1.00 CNR2 (0.70) CNR2CNR1
SCHEMBL5521063 0.95 CNR2 (0.74) CNR2CNR1
SCHEMBL2746381 0.95 CNR2 (0.74) CNR2CNR1
SCHEMBL5522481 0.92 CNR2 (0.70) CNR2CNR1
SCHEMBL5518594 0.91 CNR2 (0.69) CNR2CNR1
SCHEMBL2745471 0.91 CNR1 (0.69) CNR2CNR1
SCHEMBL5518543 0.91 CNR1 (0.69) CNR2CNR1
SCHEMBL14215440 0.91 CNR2 (0.69) CNR2CNR1
SCHEMBL5515948 0.91 CNR2 (0.59) CNR2CNR1
SCHEMBL5518597 0.89 CNR2 (0.66) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
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
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