SCHEMBL4073459

SCHEMBL4073459

O=[C]N1CCNCC1C(=O)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
CHKA P35790 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
HPGD P15428 1/20 0.36
HSD11B1 P28845 1/20 0.35
DPP4 P27487 1/20 0.32

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
SCHEMBL8710374 0.92 CHRNB2 (0.47) CA2CHKACHRNB2CHRNA3CHRNA4
SCHEMBL3449345 0.77 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4
SCHEMBL10463079 0.76 CA2 (0.41) CA2CHKACHRNB2CHRNA3CHRNA4
SCHEMBL3448403 0.75 SLC6A1 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4840663 0.75 HPGD (0.45) HPGD
SCHEMBL3448296 0.74 SLC6A1 (0.36) CA2CHKACHRNB2CHRNA3CHRNA4
SCHEMBL8024244 0.74 HPGD (0.48) HPGD
SCHEMBL6656408 0.74 HPGD (0.48) HPGD
SCHEMBL6695180 0.74 HPGD (0.48) HPGD
SCHEMBL4261203 0.74 HPGD (0.48) HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065053-A1 CELL DEATH INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2009-06-03 EP disclosed
EP-1897880-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-03-12 EP disclosed