SCHEMBL5521756

SCHEMBL5521756

CCc1c(C)cc(C(=O)NC(CC(=O)O)C(F)(F)F)c(=O)n1CCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.44
CNR1 P21554 6/20 0.44
ADRA2A P08913 2/20 0.34
CYP26A1 O43174 3/20 0.32
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5519319 0.91 CNR2 (0.45) CNR2CNR1ADRA2ACYP26A1MEN1
SCHEMBL14865423 0.91 CNR2 (0.36) CNR2CNR1ADRA2ACYP26A1
SCHEMBL5509889 0.83 CNR2 (0.49) CNR2CNR1ADRA2AMEN1LMNA
SCHEMBL11922691 0.79 CNR2 (0.50) CNR2CNR1ADRA2AMEN1LMNA
SCHEMBL5522236 0.79 CNR2 (0.53) CNR2CNR1ADRA2AMEN1LMNA
SCHEMBL5525434 0.79 CNR2 (0.45) CNR2CNR1ADRA2AMEN1LMNA
SCHEMBL5521692 0.79 CNR2 (0.47) CNR2CNR1KMT2A
SCHEMBL5525415 0.78 CNR2 (0.43) CNR2CNR1
SCHEMBL5516448 0.78 CNR2 (0.47) CNR2CNR1ADRA2AMEN1LMNA
SCHEMBL5525307 0.76 CNR2 (0.46) CNR2CNR1CYP26A1

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