SCHEMBL4273233

SCHEMBL4273233

CCN(CC)C(C=O)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRD1 P41143 9/20 0.34
OPRM1 P35372 7/20 0.34
OPRK1 P41145 2/20 0.32
SIGMAR1 Q99720 2/20 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
SCHEMBL1819298 0.79 OPRD1 (0.33) OPRD1
SCHEMBL1627655 0.72 OPRD1 (0.36) SLC6A2SLC6A4OPRD1OPRM1OPRK1
SCHEMBL8902843 0.71 SLC6A2 (0.35) SLC6A2SLC6A4OPRD1OPRM1SIGMAR1
SCHEMBL1819138 0.67 CHRM2 (0.34) SLC6A2SLC6A4OPRD1SIGMAR1
SCHEMBL1820783 0.67 CHRM5 (0.31)
SCHEMBL3590885 0.67 SLC6A2 (0.33) SLC6A2SLC6A4SIGMAR1
SCHEMBL361322 0.66 MEN1 (0.35) OPRD1
SCHEMBL8373305 0.66 OPRD1 (0.33) OPRD1OPRM1
SCHEMBL2590668 0.64 OPRD1 (0.43) SLC6A2SLC6A4OPRD1OPRM1OPRK1
SCHEMBL3928119 0.64 SIGMAR1 (0.33) SLC6A2SLC6A4OPRD1SIGMAR1

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-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 WO disclosed