SCHEMBL21100829

SCHEMBL21100829

CCCCN(COCC)Cc1cccc(CN(CC2CC2)CC2CO2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.34
OPRK1 P41145 5/20 0.34
OPRD1 P41143 2/20 0.34
HTT P42858 1/20 0.34
BCHE P06276 3/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
S1PR1 P21453 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SPHK2 Q9NRA0 3/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL21132002 0.94 HTT (0.38) OPRM1OPRK1OPRD1HTTBCHE
SCHEMBL19544339 0.84 TSHR (0.34) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16640948 0.84 HTT (0.43) OPRM1OPRK1OPRD1HTTBCHE
SCHEMBL16640967 0.83 HTT (0.44) OPRM1OPRK1OPRD1HTTBCHE
SCHEMBL21100723 0.81 OPRM1 (0.46) OPRM1OPRK1OPRD1BCHEGRIN2D
SCHEMBL24085992 0.81 OPRM1 (0.44) OPRM1OPRK1OPRD1S1PR1DRD2
SCHEMBL21100944 0.78 OPRM1 (0.39) OPRM1OPRK1OPRD1S1PR1DRD2
SCHEMBL16640947 0.77 BCHE (0.37) OPRM1OPRK1OPRD1HTTBCHE
SCHEMBL24108515 0.77 SPHK2 (0.33) OPRM1OPRK1OPRD1S1PR1DRD2
SCHEMBL16641035 0.76 HTT (0.36) OPRM1OPRK1OPRD1HTTBCHE

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
WO-2019113780-A1 ULTRA-REMOVABLE AND SOLVENT RESISTANT PRESSURE-SENSITIVE ADHESIVES AVERY DENNISON CORPORATION (US) 2019-06-20 WO disclosed