SCHEMBL2415547

SCHEMBL2415547

CC(C)(C)CN(Cc1cc(-c2cccnc2C#N)n(S(=O)(=O)c2ccc(F)cc2F)c1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPME1 Q9Y570 1/20 0.35
GRM4 Q14833 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HTR6 P50406 3/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
NR3C2 P08235 1/20 0.31
ACLY P53396 1/20 0.31
LMNA P02545 1/20 0.31
KDM2B Q8NHM5 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
SCHEMBL2406679 0.93 PTGDR2 (0.34) PTGDR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2410591 0.89 PTGDR2 (0.33) PTGDR2PDE4APDE4BPDE4CPDE4D
SCHEMBL4410586 0.89 PPME1 (0.36) PPME1GRM4PTGDR2PDE4APDE4B
SCHEMBL2412644 0.87 CHRM5 (0.35) PTGDR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2414633 0.86 PTGDR2 (0.32) PTGDR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2410005 0.86 PTGDR2 (0.34) PTGDR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2409375 0.86 POLB (0.35) PTGDR2HTR6
SCHEMBL2409830 0.86 PTGDR2 (0.39) PTGDR2
SCHEMBL2415544 0.84 NR3C2 (0.36) PPME1GRM4PDE4APDE4BPDE4C
SCHEMBL2410366 0.83 ALDH1A1 (0.38) PTGDR2PDE4APDE4BPDE4CPDE4D

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