SCHEMBL5523933

SCHEMBL5523933

CCCc1c(CC)cc(C(=O)N[C@@H](CC(C)C)C(=O)OC)c(=O)n1CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.44
CNR1 P21554 9/20 0.44
TAS1R3 Q7RTX0 6/20 0.44
TAS1R1 Q7RTX1 6/20 0.44
BCL2L1 Q07817 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2745458 1.00 CNR2 (0.44) CNR2CNR1TAS1R3TAS1R1BCL2L1
SCHEMBL5524810 0.91 CNR2 (0.49) CNR2CNR1BCL2L1
SCHEMBL5509900 0.88 CNR2 (0.51) CNR2CNR1
SCHEMBL2745444 0.87 CNR2 (0.54) CNR2CNR1BCL2L1
SCHEMBL5522820 0.87 CNR2 (0.54) CNR2CNR1BCL2L1
SCHEMBL2745357 0.86 CNR2 (0.57) CNR2CNR1
SCHEMBL5515738 0.86 CNR2 (0.57) CNR2CNR1
SCHEMBL5523756 0.84 CNR2 (0.47) CNR2CNR1
SCHEMBL2747185 0.84 CNR2 (0.47) CNR2CNR1
SCHEMBL5517623 0.84 CNR2 (0.48) CNR2CNR1TAS1R3TAS1R1BCL2L1

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