SCHEMBL5521692

SCHEMBL5521692

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.47
CNR1 P21554 8/20 0.47
GRN P28799 3/20 0.41
SORT1 Q99523 3/20 0.41
PYGL P06737 3/20 0.34
CYP2C9 P11712 3/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5525415 0.85 CNR2 (0.43) CNR2CNR1
SCHEMBL5509889 0.84 CNR2 (0.49) CNR2CNR1ALDH1A1GAAKMT2A
SCHEMBL5519319 0.82 CNR2 (0.45) CNR2CNR1KMT2A
SCHEMBL5522236 0.80 CNR2 (0.53) CNR2CNR1ALDH1A1GAAKMT2A
SCHEMBL11922691 0.80 CNR2 (0.50) CNR2CNR1ALDH1A1KMT2A
SCHEMBL5521756 0.79 CNR2 (0.44) CNR2CNR1KMT2A
SCHEMBL5516448 0.79 CNR2 (0.47) CNR2CNR1TSHRALDH1A1GAA
SCHEMBL5525404 0.78 CNR2 (0.45) CNR2CNR1ALDH1A1GAAKMT2A
SCHEMBL5525434 0.78 CNR2 (0.45) CNR2CNR1ALDH1A1GAAKMT2A
SCHEMBL14472357 0.75 CNR2 (0.44) CNR2CNR1SORT1ALDH1A1KDM4E

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