SCHEMBL1669035

SCHEMBL1669035

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.39
OPRK1 P41145 3/20 0.39
TACR1 P25103 1/20 0.37
P4HB P07237 1/20 0.35
OPRM1 P35372 1/20 0.35
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
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
SCHEMBL12801201 0.94 OPRD1 (0.46) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL12801231 0.89 OPRD1 (0.47) OPRD1OPRK1TACR1P4HBOPRM1
SCHEMBL1669343 0.88 OPRD1 (0.40) OPRD1OPRK1TACR1CHRM5CHRM1
SCHEMBL12800403 0.83 OPRD1 (0.46) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL1668756 0.82 OPRD1 (0.48) OPRD1OPRK1TACR1OPRM1TSHR
SCHEMBL1668720 0.81 CHRM5 (0.43) OPRD1OPRK1OPRM1CHRM5CHRM1
SCHEMBL16498945 0.81 OPRD1 (0.52) OPRD1OPRK1TACR1OPRM1TSHR
SCHEMBL1669123 0.80 OPRD1 (0.51) OPRD1OPRK1TACR1OPRM1TSHR
SCHEMBL16511721 0.79 OPRD1 (0.45) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL16499347 0.79 OPRD1 (0.50) OPRD1OPRK1TACR1OPRM1TSHR

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