SCHEMBL5525110

SCHEMBL5525110

COC(=O)[C@H]1CC[C@H](NC(=O)c2cc3c(n(CC4CCCO4)c2=O)CCCCCC3)CC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.60
CNR1 P21554 17/20 0.55
BRD4 O60885 1/20 0.47

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 1.00 CNR2 (0.60) CNR2CNR1BRD4
SCHEMBL5522772 0.90 CNR2 (0.66) CNR2CNR1BRD4
SCHEMBL2746256 0.87 CNR2 (0.66) CNR2CNR1
SCHEMBL5518711 0.82 CNR2 (0.63) CNR2CNR1
SCHEMBL2745548 0.81 CNR2 (0.76) CNR2CNR1
SCHEMBL2747930 0.79 CNR2 (0.57) CNR2CNR1
SCHEMBL2746060 0.79 CNR2 (0.66) CNR2CNR1
SCHEMBL5522109 0.79 CNR2 (0.75) CNR2CNR1
SCHEMBL2746394 0.79 CNR2 (0.63) CNR2CNR1
SCHEMBL2746240 0.79 CNR2 (0.60) 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