SCHEMBL2896480

SCHEMBL2896480

CC(C)(C)OC(=O)N1CCOc2nc(OCCC3CCCC3)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.41
ESR2 Q92731 1/20 0.39
SCN9A Q15858 1/20 0.39
NR1H2 P55055 1/20 0.39
FAAH O00519 1/20 0.38
CHEK2 O96017 1/20 0.37
CSF1R P07333 1/20 0.37
KDR P35968 1/20 0.37
MAPK1 P28482 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL2888850 0.87 ESR2 (0.41) GPR119ESR2NR1H2FAAHCHEK2
SCHEMBL2890933 0.87 ESR2 (0.42) GPR119ESR2NR1H2MAPK1NAMPT
SCHEMBL2889302 0.86 ESR2 (0.42) GPR119ESR2NR1H2MAPK1
SCHEMBL2887295 0.85 ESR2 (0.44) GPR119ESR2NR1H2MAPK1NAMPT
SCHEMBL2890958 0.83 GPR119 (0.44) GPR119ESR2NR1H2MAPK1
SCHEMBL2886944 0.82 ACACB (0.42) GPR119ESR2NR1H2MAPK1NAMPT
SCHEMBL2883177 0.82 ESR2 (0.40) GPR119ESR2NR1H2MAPK1NAMPT
SCHEMBL2883210 0.82 ESR2 (0.40) GPR119ESR2NR1H2MAPK1NAMPT
SCHEMBL2888755 0.81 ESR2 (0.39) GPR119ESR2NR1H2MAPK1NAMPT
SCHEMBL2889110 0.81 ESR2 (0.40) GPR119ESR2NR1H2MAPK1NAMPT

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-2213675-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-04 EP disclosed