SCHEMBL21100944

SCHEMBL21100944

COCCN(Cc1cccc(CN(CC2CO2)CC2CO2)c1)CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.39
OPRK1 P41145 13/20 0.39
OPRD1 P41143 10/20 0.39
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
S1PR1 P21453 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL24085992 0.87 OPRM1 (0.44) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL21941413 0.82 TSHR (0.45) MEN1KMT2A
SCHEMBL15314659 0.80 ALDH1A1 (0.39) OPRM1OPRK1OPRD1S1PR1MEN1
SCHEMBL44458 0.80 ALDH1A1 (0.39) OPRM1OPRK1OPRD1S1PR1MEN1
SCHEMBL21100829 0.78 OPRM1 (0.34) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL16640948 0.77 HTT (0.43) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL20144679 0.76 NISCH (0.35) S1PR1
SCHEMBL27794001 0.75 CALM1 (0.51) MEN1KMT2A
SCHEMBL16640967 0.75 HTT (0.44) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL1893856 0.74 OPRK1 (0.43) OPRM1OPRK1OPRD1DRD2DRD3

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