Sugi Predict

Sugi Predict / Compounds / SCHEMBL5197602

SCHEMBL5197602

SCHEMBL5197602

O=C(N[C@H](C(=O)O)C1CCCCC1)c1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 16/20 0.48
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL5197590 1.00 PYGL (0.48) PYGLCNR1CNR2CYP2C9
SCHEMBL5193186 0.86 PYGL (0.55) PYGLCNR1CNR2CYP2C9
SCHEMBL5193196 0.86 PYGL (0.55) PYGLCNR1CNR2CYP2C9
SCHEMBL5418878 0.86 PYGL (0.45) PYGLCNR1CNR2CYP2C9
SCHEMBL5196786 0.85 PYGL (0.53) PYGLCYP2C9
SCHEMBL5196793 0.85 PYGL (0.53) PYGLCYP2C9
SCHEMBL5191891 0.83 PYGL (0.52) PYGLCNR1CNR2CYP2C9
SCHEMBL5195668 0.82 PYGL (0.46) PYGLCNR1CNR2CYP2C9
SCHEMBL5194468 0.81 PYGL (0.43) PYGLCNR1CNR2CYP2C9
SCHEMBL5197192 0.81 PYGL (0.43) PYGLCNR1CNR2CYP2C9

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