SCHEMBL5520869

SCHEMBL5520869

CCCCn1c(CCC)c(CC)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.52
CNR1 P21554 10/20 0.52
KMT2A Q03164 1/20 0.43
FAAH O00519 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2745553 0.92 CNR2 (0.50) CNR2CNR1
SCHEMBL5519973 0.92 CNR2 (0.50) CNR2CNR1
SCHEMBL5522290 0.85 CNR2 (0.47) CNR2CNR1KMT2A
SCHEMBL5524729 0.84 CNR2 (0.67) CNR2CNR1KMT2A
SCHEMBL14865401 0.84 CNR2 (0.46) CNR2CNR1
SCHEMBL5516235 0.84 CNR2 (0.52) CNR2CNR1KMT2A
SCHEMBL5515967 0.83 CNR2 (0.69) CNR2CNR1KMT2AL3MBTL1
SCHEMBL5517948 0.83 CNR2 (0.69) CNR2CNR1KMT2AL3MBTL1
SCHEMBL2746843 0.83 CNR2 (0.69) CNR2CNR1KMT2AL3MBTL1
SCHEMBL2736718 0.83 CNR2 (0.75) CNR2CNR1KMT2A

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
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP disclosed