SCHEMBL5520301

SCHEMBL5520301

COC(=O)[C@H](NC(=O)c1cc2c(n(CCc3ccc(F)cc3)c1=O)CCCCCC2)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.56
CNR1 P21554 16/20 0.56
KCNK3 O14649 1/20 0.43

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
SCHEMBL5524893 0.91 CNR2 (0.67) CNR2CNR1KCNK3
SCHEMBL5517301 0.86 CNR2 (0.72) CNR2CNR1
SCHEMBL5523518 0.86 CNR2 (0.72) CNR2CNR1
SCHEMBL5515926 0.86 CNR2 (0.61) CNR2CNR1
SCHEMBL5517419 0.85 CNR2 (0.70) CNR2CNR1
SCHEMBL5520012 0.84 CNR2 (0.58) CNR2CNR1
SCHEMBL5524422 0.84 CNR2 (0.61) CNR2CNR1
SCHEMBL5524003 0.84 CNR2 (0.58) CNR2CNR1
SCHEMBL5515948 0.83 CNR2 (0.59) CNR2CNR1
SCHEMBL5524359 0.83 CNR2 (0.59) 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