SCHEMBL19946334

SCHEMBL19946334

N#CC(OC(N)=O)c1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 17/20 0.50
EPHX2 P34913 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.39
SLC7A5 Q01650 1/20 0.37

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
SCHEMBL19946332 0.83 PDE2A (0.53) PDE2AEPHX2TRPM8SLC7A5
SCHEMBL19946341 0.80 EPHX1 (0.43) PDE2AEPHX2
SCHEMBL19946337 0.77 PDE2A (0.50) PDE2AEPHX2TRPM8SLC7A5
SCHEMBL19946338 0.77 PDE2A (0.64) PDE2AEPHX2TRPM8
SCHEMBL16563574 0.76 PDE2A (0.58) PDE2AEPHX2TRPM8SLC7A5
SCHEMBL17797443 0.75 PDE2A (0.51) PDE2AEPHX2SLC7A5
SCHEMBL28114750 0.75 PDE2A (0.51) PDE2AEPHX2SLC7A5
SCHEMBL16563845 0.74 PDE2A (0.47) PDE2AEPHX2TRPM8
SCHEMBL16563788 0.73 PDE2A (0.51) PDE2AEPHX2TRPM8SLC7A5
SCHEMBL16563578 0.72 PDE2A (0.61) PDE2AEPHX2TRPM8SLC7A5

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-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 EP disclosed