SCHEMBL14636611

SCHEMBL14636611

CC(C)(C)OC(=O)N1CCC(n2ncc3ccccc3c2=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.53
NR3C1 P04150 2/20 0.48
PIK3CA P42336 2/20 0.47
MTOR P42345 2/20 0.47
PIK3CG P48736 2/20 0.47
ATR Q13535 2/20 0.47
AURKB Q96GD4 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP11B2 P19099 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCD Q05655 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
OPRM1 P35372 1/20 0.45

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
SCHEMBL28923309 0.85 GPR119 (0.52) GPR119NR3C1PIK3CAMTORPIK3CG
SCHEMBL29129979 0.80 GPR119 (0.53) GPR119NR3C1PIK3CAMTORPIK3CG
SCHEMBL30059506 0.80 GPR119 (0.53) GPR119NR3C1PIK3CAMTORPIK3CG
SCHEMBL30186809 0.79 USP30 (0.51) GPR119NR3C1PIK3CAMTORPIK3CG
SCHEMBL25356444 0.78 NR3C1 (0.53) GPR119NR3C1PIK3CAMTORPIK3CG
SCHEMBL23914934 0.77 LMNA (0.51) GPR119NR3C1CYP3A4KDM4EPKM
SCHEMBL23531650 0.77 GPR119 (0.55) GPR119KDM4EPKMPOLBMAPT
SCHEMBL12459062 0.77 GPR119 (0.60) GPR119NR3C1PIK3CAMTORPIK3CG
SCHEMBL23531618 0.77 EGFR (0.51) GPR119PIK3CAPIK3CGKDM4EPKM
SCHEMBL21060691 0.77 GPR119 (0.68) GPR119NR3C1PIK3CAMTORPIK3CG

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-2013010453-A1 CHEMOKING RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed