SCHEMBL5196236

SCHEMBL5196236

Nc1cc(Cl)c(Cl)cc1C(=O)NC(C(=O)O)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PYGL P06737 19/20 0.53
CYP2C9 P11712 3/20 0.47
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL5196225 1.00 PYGL (0.53) PYGLCYP2C9CNR1CNR2
SCHEMBL5192292 0.85 PYGL (0.51) PYGLCYP2C9CNR1CNR2
SCHEMBL5192299 0.85 PYGL (0.51) PYGLCYP2C9CNR1CNR2
SCHEMBL5191891 0.84 PYGL (0.52) PYGLCYP2C9CNR1CNR2
SCHEMBL5191876 0.82 PYGL (0.62) PYGLCYP2C9
Hydrochloric Acid SCHEMBL5192284 0.81 PYGL (0.61) PYGLCYP2C9
SCHEMBL5193828 0.81 PYGL (0.60) PYGLCYP2C9
SCHEMBL5195691 0.80 PYGL (0.53) PYGLCYP2C9
SCHEMBL5194685 0.80 PYGL (0.46) PYGLCYP2C9CNR1CNR2
SCHEMBL5195696 0.80 PYGL (0.53) PYGLCYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed