SCHEMBL5516941

SCHEMBL5516941

CCCCn1c(CCC)c(CC)cc(C(=O)NC(CC(=O)O)CC(C)C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.46
CNR1 P21554 11/20 0.45
PLA2G10 O15496 1/20 0.38

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
SCHEMBL14865410 0.92 CNR2 (0.46) CNR2CNR1
SCHEMBL5515502 0.84 CNR2 (0.61) CNR2CNR1
SCHEMBL5525307 0.82 CNR2 (0.46) CNR2CNR1
SCHEMBL5517623 0.82 CNR2 (0.48) CNR2CNR1
SCHEMBL5516954 0.82 CNR2 (0.48) CNR2CNR1
SCHEMBL5522058 0.81 CNR2 (0.48) CNR2CNR1
SCHEMBL14865401 0.81 CNR2 (0.46) CNR2CNR1
SCHEMBL5524796 0.80 CNR2 (0.47) CNR2CNR1
SCHEMBL5520743 0.78 CNR2 (0.53) CNR2CNR1
SCHEMBL11922863 0.78 CNR2 (0.55) 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