SCHEMBL1668586

SCHEMBL1668586

COC(=O)c1ccc(O)c(C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.48
OPRK1 P41145 4/20 0.48
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.47
PKM P14618 2/20 0.45
TACR1 P25103 1/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
NPC1 O15118 1/20 0.41
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL1668505 0.90 OPRD1 (0.51) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL1669154 0.83 OPRD1 (0.51) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL16499539 0.80 OPRD1 (0.52) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL16498945 0.80 OPRD1 (0.52) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL16498943 0.80 OPRD1 (0.52) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL12800770 0.80 OPRD1 (0.42) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL1669123 0.79 OPRD1 (0.51) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL12801195 0.78 KDM4E (0.42) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL16499347 0.78 OPRD1 (0.50) OPRD1OPRK1TSHRALOX15ATM
SCHEMBL1950809 0.78 IP6K1 (0.52) PKMJAK2JAK1

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