SCHEMBL6187615

SCHEMBL6187615

NC(=O)c1cnc(Oc2ccc(COC(=O)NCCc3ccccc3)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.54
OPRD1 P41143 11/20 0.54
OPRK1 P41145 10/20 0.54
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
GRIN1 Q05586 1/20 0.52
KCNH2 Q12809 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
ROCK1 Q13464 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PLAAT3 P53816 2/20 0.47
PLAAT5 Q96KN8 2/20 0.47
PLAAT2 Q9NWW9 2/20 0.47
PLAAT4 Q9UL19 2/20 0.47

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
SCHEMBL3695195 0.83 OPRM1 (0.76) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL6187612 0.76 LPAR1 (0.49) OPRM1OPRD1OPRK1GRIN2DGRIN3B
Benzyl Phenethylcarbamate SCHEMBL4287199 0.76 LMNA (0.73) MAPTL3MBTL1LMNASMN1; SMN2HTT
SCHEMBL13535161 0.75 L3MBTL1 (0.63) MAPTL3MBTL1LMNASMN1; SMN2HTT
SCHEMBL8737718 0.74 NPC1 (0.72) MAPTL3MBTL1PLAAT3PLAAT5PLAAT2
SCHEMBL2851561 0.73 LMNA (0.61) MAPTL3MBTL1LMNASMN1; SMN2HTT
SCHEMBL160715 0.73 LMNA (0.61) MAPTL3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6554125 0.73 LMNA (0.65) MAPTL3MBTL1PLAAT3PLAAT5PLAAT2
SCHEMBL23291312 0.72 MAPT (0.66) MAPTL3MBTL1LMNASMN1; SMN2HTT
SCHEMBL10447512 0.72 L3MBTL1 (0.59) MAPTL3MBTL1LMNASMN1; SMN2HTT

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-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed