SCHEMBL4698666

SCHEMBL4698666

CCCC1(c2cccc(NS(=O)(=O)CCOC)c2)C2CN(CC3(O)Cc4ccccc4C3)CC21

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.66
KCNH2 Q12809 4/20 0.66
OPRD1 P41143 3/20 0.66
OPRK1 P41145 3/20 0.66

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
SCHEMBL4701031 0.93 OPRM1 (0.76) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4754480 0.87 OPRM1 (0.86) OPRM1KCNH2OPRD1OPRK1
SCHEMBL6023239 0.86 OPRM1 (0.81) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4700444 0.83 OPRM1 (0.85) OPRM1KCNH2OPRD1OPRK1
Cp-866087 SCHEMBL14161503 0.80 OPRM1 (1.00) OPRM1KCNH2OPRD1OPRK1
Cp-866087 SCHEMBL16292952 0.80 OPRM1 (1.00) OPRM1KCNH2OPRD1OPRK1
Cp-866087 SCHEMBL4697312 0.80 OPRM1 (1.00) OPRM1KCNH2OPRD1OPRK1
Cp-866087 SCHEMBL18091510 0.79 OPRM1 (0.98) OPRM1KCNH2OPRD1OPRK1
Cp-866087 SCHEMBL4700040 0.79 OPRM1 (0.98) OPRM1KCNH2OPRD1OPRK1
SCHEMBL18091551 0.77 OPRM1 (1.00) OPRM1KCNH2OPRD1OPRK1

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
EP-1440059-B1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2008-04-16 EP claimed