SCHEMBL2408895

SCHEMBL2408895

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.32
HTR2C P28335 2/20 0.31
SLC6A4 P31645 2/20 0.31
HTR2A P28223 1/20 0.31
KAT6A Q92794 1/20 0.30
KAT5 Q92993 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
SCHEMBL5008195 0.88 HTR6 (0.30)
SCHEMBL2409441 0.87 HTR2C (0.35) SSTR4HTR2CSLC6A4HTR2AKAT6A
SCHEMBL2411042 0.87 HTR6 (0.33) SSTR4HTR2CSLC6A4HTR2AKAT6A
SCHEMBL2411546 0.86 SSTR4 (0.34) SSTR4HTR2CSLC6A4HTR2A
SCHEMBL2411934 0.86 RXFP1 (0.33) SSTR4HTR2CSLC6A4HTR2A
SCHEMBL1833792 0.86 KAT6A (0.32) SSTR4HTR2CSLC6A4HTR2AKAT6A
SCHEMBL4420269 0.86 HTR6 (0.37) HTR2CSLC6A4HTR2A
SCHEMBL1834426 0.85 HTR2C (0.33) SSTR4HTR2CSLC6A4HTR2AKAT6A
SCHEMBL2413127 0.85 HTR2C (0.33) SSTR4HTR2CSLC6A4HTR2AKAT6A
SCHEMBL2407588 0.85 MET (0.38) HTR2CSLC6A4HTR2AKAT6AKAT5

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