SCHEMBL7995182

SCHEMBL7995182

NC(=O)C1COCCN1N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 3/20 0.36
MAOB P27338 2/20 0.34
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
GAA P10253 1/20 0.32
MAOA P21397 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
PIK3CA P42336 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3939459 0.78 CNR2 (0.38) CA12CA1CA9CA2KDM4E
SCHEMBL16160604 0.78 CNR2 (0.38) CA12CA1CA9CA2KDM4E
SCHEMBL28310283 0.78 CA12 (0.45) CA12CA1CA9CA2KDM4E
SCHEMBL16160600 0.78 CNR2 (0.38) CA12CA1CA9CA2KDM4E
SCHEMBL30467117 0.77 CA12 (0.35) CA12CA1CA9CA2
SCHEMBL22917543 0.77 CA12 (0.35) CA12CA1CA9CA2SMN1; SMN2
SCHEMBL1150296 0.76 CA12 (0.44) CA12CA1CA9CA2KDM4E
SCHEMBL29022309 0.76 CA12 (0.44) CA12CA1CA9CA2KDM4E
SCHEMBL1767824 0.75 CA12 (0.36) CA12CA1CA9CA2KDM4E
SCHEMBL22917542 0.74 CA12 (0.33) CA12CA1CA9CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009146182-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-03 WO disclosed