SCHEMBL21100723

SCHEMBL21100723

CCCCN(Cc1cccc(CN(CC2CC2)CC2CC2)c1)CC1CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.46
OPRK1 P41145 13/20 0.46
OPRD1 P41143 10/20 0.46
BCHE P06276 2/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
MAPT P10636 1/20 0.41
KCNH2 Q12809 1/20 0.39

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
SCHEMBL16640948 0.82 HTT (0.43) OPRM1OPRK1OPRD1BCHEGRIN2D
SCHEMBL21100829 0.81 OPRM1 (0.34) OPRM1OPRK1OPRD1BCHEGRIN2D
SCHEMBL16640967 0.81 HTT (0.44) OPRM1OPRK1OPRD1BCHEGRIN2D
SCHEMBL7130458 0.75 KCNH2 (0.54) OPRM1OPRK1OPRD1BCHEGRIN2D
SCHEMBL24085992 0.75 OPRM1 (0.44) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL22296359 0.74 HTT (0.38) BCHEDRD2DRD3MAPT
SCHEMBL24108515 0.74 SPHK2 (0.33) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL172762 0.73 OPRM1 (0.47) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL21100944 0.73 OPRM1 (0.39) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL21132002 0.72 HTT (0.38) OPRM1OPRK1OPRD1BCHEGRIN2D

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