SCHEMBL12801201

SCHEMBL12801201

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
TACR1 P25103 1/20 0.44
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
GPR119 Q8TDV5 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CCR5 P51681 2/20 0.36
STS P08842 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL12801231 0.95 OPRD1 (0.47) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL1669035 0.94 OPRD1 (0.39) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL12800403 0.89 OPRD1 (0.46) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL1668756 0.89 OPRD1 (0.48) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL16498945 0.87 OPRD1 (0.52) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL1669123 0.86 OPRD1 (0.51) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL16499347 0.86 OPRD1 (0.50) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL16511721 0.85 OPRD1 (0.45) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL16499539 0.84 OPRD1 (0.52) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL12801195 0.84 KDM4E (0.42) OPRD1OPRK1TACR1TSHRALOX15

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