SCHEMBL2408899

SCHEMBL2408899

CC(C)(C)CN(Cc1cn(S(=O)(=O)c2ccoc2)c(-c2cccnc2F)c1F)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 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
SCHEMBL2409445 0.87 ESR1 (0.39) PTGDR2
SCHEMBL5008195 0.87 HTR6 (0.30)
SCHEMBL2411045 0.86 PTGER2 (0.33) PTGDR2
SCHEMBL4420273 0.86 HTR6 (0.36) PTGDR2
SCHEMBL2411938 0.86 RXFP1 (0.32)
SCHEMBL1833794 0.86 PTGDR2 (0.34) PTGDR2
SCHEMBL1834429 0.85 PTGDR2 (0.32) PTGDR2
SCHEMBL2413130 0.85 L3MBTL1 (0.33) PTGDR2
SCHEMBL2407589 0.85 MET (0.39) PTGDR2
SCHEMBL2413762 0.85 SLC6A9 (0.35) PTGDR2

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