SCHEMBL2408012

SCHEMBL2408012

CC(C)(C)CN(Cc1cn(S(=O)(=O)c2cccnc2)c(-c2cccnc2C#N)c1F)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.31
PTGER2 P43116 1/20 0.31
PLCG1 P19174 1/20 0.31
HTR6 P50406 1/20 0.30
RORC P51449 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
SCHEMBL2410603 0.94 HTR6 (0.33) PTGDR2PLCG1HTR6
SCHEMBL2411045 0.90 PTGER2 (0.33) PTGDR2PTGER2HTR6RORCCHRNB2
SCHEMBL2409876 0.90 HTR6 (0.34) PTGDR2PTGER2PLCG1HTR6
SCHEMBL2412057 0.89 PPME1 (0.34) PTGDR2HTR6RORC
SCHEMBL2408863 0.88 GPBAR1 (0.33) PTGDR2PTGER2HTR6RORC
SCHEMBL4998756 0.88 HTR6 (0.34) PTGDR2HTR6CHRNB2CHRNB4CHRNA3
SCHEMBL2408646 0.87 RORC (0.33) PTGDR2PTGER2HTR6RORC
SCHEMBL2409899 0.87 MET (0.38) PTGDR2PLCG1HTR6
SCHEMBL2408006 0.84 PLCG1 (0.32) PLCG1HTR6
SCHEMBL2410118 0.83 PPME1 (0.35) PTGDR2HTR6RORC

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