SCHEMBL5194479

SCHEMBL5194479

O=C(N[C@H](C(=O)O)C1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGL P06737 14/20 0.43
CYP2C9 P11712 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PSMD14 O00487 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5194468 1.00 PYGL (0.43) PYGLCYP2C9CNR1CNR2PSMD14
SCHEMBL5197192 1.00 PYGL (0.43) PYGLCYP2C9CNR1CNR2PSMD14
SCHEMBL5195548 0.86 ALDH1A1 (0.49) PYGLMEN1KMT2A
SCHEMBL5193186 0.86 PYGL (0.55) PYGLCYP2C9CNR1CNR2
SCHEMBL5193196 0.86 PYGL (0.55) PYGLCYP2C9CNR1CNR2
SCHEMBL5195537 0.86 ALDH1A1 (0.49) PYGLMEN1KMT2A
SCHEMBL5195581 0.86 ALDH1A1 (0.49) PYGLMEN1KMT2A
SCHEMBL5196793 0.85 PYGL (0.53) PYGLCYP2C9
SCHEMBL5196786 0.85 PYGL (0.53) PYGLCYP2C9
SCHEMBL5197711 0.84 MEN1 (0.51) PYGLCYP2C9MEN1KMT2A

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