SCHEMBL5522772

SCHEMBL5522772

O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1cc2c(n(CC3CCCO3)c1=O)CCCCCC2

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.66
CNR1 P21554 16/20 0.55
BRD4 O60885 1/20 0.46

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
SCHEMBL2745635 0.90 CNR2 (0.60) CNR2CNR1BRD4
SCHEMBL5525110 0.90 CNR2 (0.60) CNR2CNR1BRD4
SCHEMBL2746694 0.86 CNR2 (0.68) CNR2CNR1
SCHEMBL2746060 0.85 CNR2 (0.66) CNR2CNR1
SCHEMBL5522109 0.81 CNR2 (0.75) CNR2CNR1
SCHEMBL5518728 0.81 CNR2 (0.67) CNR2CNR1
SCHEMBL5516145 0.79 CNR2 (1.00) CNR2CNR1
SCHEMBL2746791 0.79 CNR2 (0.65) CNR2CNR1
SCHEMBL5522103 0.79 CNR2 (0.76) CNR2CNR1
SCHEMBL5524509 0.79 CNR2 (0.65) 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