SCHEMBL1668622

SCHEMBL1668622

O=C(O)CCOCCc1ccc(O)c(C2(c3ccccc3)CN(CC3CC3)C2)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.36
OPRK1 P41145 6/20 0.36
OPRM1 P35372 5/20 0.36
APP P05067 1/20 0.34
OPRL1 P41146 1/20 0.34
SLC2A1 P11166 1/20 0.33
FFAR4 Q5NUL3 3/20 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
SCHEMBL1668419 0.87 RXRA (0.38) OPRD1OPRK1OPRM1APPFFAR4
SCHEMBL12800404 0.85 CHRM5 (0.40) OPRM1APP
SCHEMBL1670818 0.85 FFAR4 (0.37) OPRM1APPFFAR4
SCHEMBL1668421 0.85 FFAR4 (0.37) OPRM1APPFFAR4
SCHEMBL1668486 0.82 SMN1; SMN2 (0.43) OPRM1APPFFAR4
SCHEMBL1668599 0.81 RXRA (0.38) OPRM1APPFFAR4
SCHEMBL1668325 0.80 OPRM1 (0.42) OPRD1OPRK1OPRM1APP
SCHEMBL12801191 0.80 CHRM5 (0.46) OPRD1OPRK1OPRM1APP
SCHEMBL12800418 0.80 OPRM1 (0.40) OPRM1APP
SCHEMBL12800794 0.80 OPRM1 (0.31) OPRD1OPRK1OPRM1

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
WO-2011048409-A1 CYCLIC AMINE DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ASTRAZENECA AB (SE) 2011-04-28 WO disclosed
WO-2011048409-A1 CYCLIC AMINE DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ASTRAZENECA AB (SE) 2011-04-28 WO disclosed