SCHEMBL2409288

SCHEMBL2409288

CNC(=O)OCc1cn(S(=O)(=O)c2cccc(F)c2)c(-c2cccnc2C#N)c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.34
IDE P14735 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
PLCG1 P19174 1/20 0.32
DRD2 P14416 1/20 0.32
GRM5 P41594 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HSD11B1 P28845 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
SCHEMBL1580872 0.86 HTR6 (0.40) HTR6IDEDRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL2413054 0.86 HTR6 (0.39) HTR6IDEDRD2HTR2AHTR2C
SCHEMBL4418226 0.82 HTR6 (0.35) HTR6IDEPTGDR2DRD2HTR2A
SCHEMBL5002522 0.82 IDE (0.38) HTR6IDEPTGDR2NFE2L2
SCHEMBL4425473 0.81 HTR6 (0.33) HTR6PLCG1DRD2GRM5
SCHEMBL2409871 0.80 PTGDR2 (0.33) HTR6IDEPTGDR2PLCG1HTR2A
SCHEMBL2409873 0.80 HTR6 (0.34) HTR6PTGDR2KAT8PLCG1HTR2A
SCHEMBL4566581 0.79 PPME1 (0.36) HTR6PTGDR2PLCG1
SCHEMBL1580530 0.79 GLO1 (0.38) HTR6
SCHEMBL2409876 0.79 HTR6 (0.34) HTR6IDEPTGDR2PLCG1HTR2A

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 1 patent. 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