SCHEMBL2409830

SCHEMBL2409830

CC(C)(C)CN(Cc1cc(-c2cccnc2C#N)n(S(=O)(=O)c2ccccc2Cl)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.39
MET P08581 1/20 0.35
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM5 P08912 2/20 0.32
CTSK P43235 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
P2RX7 Q99572 2/20 0.31
NR1H2 P55055 1/20 0.31

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
SCHEMBL2406679 0.91 PTGDR2 (0.34) PTGDR2L3MBTL1CTSK
SCHEMBL2414633 0.91 PTGDR2 (0.32) PTGDR2L3MBTL1CTSK
SCHEMBL2410005 0.91 PTGDR2 (0.34) PTGDR2HTTL3MBTL1CTSK
SCHEMBL2412644 0.90 CHRM5 (0.35) PTGDR2METHTTL3MBTL1CHRM5
SCHEMBL5002572 0.88 PTGDR2 (0.39) PTGDR2METHTTTRPM8P2RX7
Hydrochloric Acid SCHEMBL4417845 0.86 PTGDR2 (0.31) PTGDR2
SCHEMBL2415547 0.86 PPME1 (0.35) PTGDR2
SCHEMBL2410591 0.85 PTGDR2 (0.33) PTGDR2L3MBTL1
Hydrochloric Acid SCHEMBL4427597 0.85 CHRM5 (0.32) PTGDR2L3MBTL1CHRM5CTSK
SCHEMBL2410366 0.85 ALDH1A1 (0.38) PTGDR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO disclosed