SCHEMBL6823295

SCHEMBL6823295

CC(C)(C)OC(=O)N1CCC2(CC1)CC(Cc1ccccc1)CO2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.48
MGLL Q99685 3/20 0.47
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
STS P08842 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
TACR1 P25103 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAMPT P43490 1/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7658016 0.89 CNR1 (0.44) GPR119MGLL
SCHEMBL6778252 0.84 GPR119 (0.46) GPR119MGLLOPRD1OPRK1STS
SCHEMBL31585625 0.83 KDM4E (0.47) GPR119MGLLKDM4EPKMALOX15
SCHEMBL16466248 0.82 FFAR4 (0.50) GPR119MGLLKDM4EPKMSMN1; SMN2
SCHEMBL20396156 0.82 NR1H2 (0.48) GPR119MGLLSMN1; SMN2NAMPT
SCHEMBL18418311 0.82 MGLL (0.52) GPR119MGLLOPRD1OPRK1TACR1
SCHEMBL22880757 0.82 MGLL (0.52) GPR119MGLLOPRD1OPRK1TACR1
SCHEMBL24753001 0.81 USP2 (0.42) GPR119MGLLSMN1; SMN2NAMPT
SCHEMBL22880963 0.81 USP2 (0.42) GPR119MGLLSMN1; SMN2NAMPT
SCHEMBL29319166 0.81 CYP2D6 (0.46) GPR119MGLLOPRD1OPRK1STS

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-2004058763-A1 4(SPIROPIPERIDINYL)METHYL SUBSTITUTED PYRROLIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-07-15 WO disclosed