SCHEMBL5523027

SCHEMBL5523027

CCc1c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1Cc1ccc(C)cc1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.86
CNR1 P21554 7/20 0.86
PYGL P06737 5/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL5523050 0.93 CNR2 (0.84) CNR2CNR1
SCHEMBL5525745 0.93 CNR2 (0.84) CNR2CNR1PYGLCYP2C9
SCHEMBL5525217 0.93 CNR2 (0.84) CNR2CNR1PYGLCYP2C9
S-777469 SCHEMBL2745978 0.92 CNR2 (1.00) CNR2CNR1
SCHEMBL5525266 0.91 CNR2 (0.80) CNR2CNR1PYGLCYP2C9
SCHEMBL5521578 0.90 CNR2 (0.80) CNR2CNR1PYGLCYP2C9
SCHEMBL5519003 0.86 CNR2 (0.82) CNR2CNR1
SCHEMBL5521635 0.83 CNR2 (0.74) CNR2CNR1PYGLCYP2C9
SCHEMBL2746162 0.83 CNR2 (0.83) CNR2CNR1
SCHEMBL5525296 0.83 CNR2 (0.83) 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 5 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
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP disclosed