SCHEMBL1669343

SCHEMBL1669343

CC(C)(C)OC(=O)CCOCCCc1ccc(OCc2ccccc2)c(C2(c3ccccc3)CCN(C(=O)O)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.40
OPRK1 P41145 3/20 0.40
TACR1 P25103 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
APP P05067 1/20 0.35
FFAR1 O14842 1/20 0.34
YAP1 P46937 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 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
SCHEMBL12800403 0.94 OPRD1 (0.46) OPRD1OPRK1TACR1FFAR4YAP1
SCHEMBL12801209 0.90 OPRD1 (0.47) OPRD1OPRK1TACR1FFAR4YAP1
SCHEMBL1669035 0.88 OPRD1 (0.39) OPRD1OPRK1TACR1CHRM5CHRM1
SCHEMBL12800828 0.83 OPRD1 (0.39) OPRD1OPRK1TACR1FFAR4APP
SCHEMBL12801201 0.83 OPRD1 (0.46) OPRD1OPRK1TACR1
SCHEMBL1668671 0.82 FFAR4 (0.44) FFAR4MTNR1AMTNR1BAPPFFAR1
SCHEMBL1671810 0.82 OPRD1 (0.51) OPRD1OPRK1TACR1YAP1
SCHEMBL16499482 0.81 OPRD1 (0.46) OPRD1OPRK1TACR1YAP1
SCHEMBL1669177 0.80 OPRD1 (0.52) OPRD1OPRK1TACR1FFAR4YAP1
SCHEMBL12801231 0.77 OPRD1 (0.47) OPRD1OPRK1TACR1

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