SCHEMBL4700489

SCHEMBL4700489

CCC1(c2cccc(NS(=O)(=O)CC)c2)C2CN(CCCC3(O)CCCCC3)CC21

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.86
KCNH2 Q12809 4/20 0.86
OPRD1 P41143 3/20 0.86
OPRK1 P41145 3/20 0.86

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
SCHEMBL4697594 0.93 OPRM1 (1.00) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5703381 0.90 OPRM1 (0.82) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5467749 0.86 OPRM1 (0.88) OPRM1KCNH2OPRD1OPRK1
Citric Acid SCHEMBL4699202 0.83 OPRM1 (0.81) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4697637 0.83 OPRM1 (0.71) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5756426 0.83 OPRM1 (0.60) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4698334 0.82 OPRM1 (0.69) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4735210 0.81 OPRM1 (0.80) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5853122 0.81 OPRM1 (0.80) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4700297 0.81 OPRM1 (0.68) 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