SCHEMBL8115016

SCHEMBL8115016

CCOC(=O)C1(c2ccccc2)CCCNC1=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.54
OPRD1 P41143 6/20 0.47
OPRK1 P41145 6/20 0.47
SLC22A1 O15245 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42

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
SCHEMBL154546 0.82 OPRM1 (0.40) OPRM1OPRD1OPRK1
SCHEMBL9738514 0.80 OPRM1 (0.52) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8407436 0.77 OPRM1 (0.46) OPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL8407441 0.77 OPRM1 (0.46) OPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL11336417 0.77 ALDH1A1 (0.37) OPRM1SMN1; SMN2
SCHEMBL14214939 0.75 OPRM1 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL27770227 0.73 GRIN1 (0.43) SMN1; SMN2GRIN1GRIN2A
SCHEMBL27722462 0.73 POLB (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8763832 0.73 OPRM1 (0.50) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL18821238 0.73 POLB (0.47) OPRM1SLC6A4SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666856-B1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME (GB) 2000-01-05 EP disclosed
US-5620989-A NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; PARTICULARLY ANTAGONISTIC FOR SUBSTANCE P MERCK SHARP & DOHME LIMITED (GB) 1997-04-15 US disclosed
EP-0666856-A1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1995-08-16 EP disclosed
WO-1994010165-A1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-05-11 WO disclosed