SCHEMBL586629

SCHEMBL586629

CC(CCC1CCN(C(=O)OC(C)(C)C)C1)COc1ccc(Cl)nc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.44
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
USP30 Q70CQ3 1/20 0.40
FAAH O00519 1/20 0.39

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
SCHEMBL7524902 0.85 GPR119 (0.56) GPR119ALOX5APFEN1
SCHEMBL29757897 0.81 GPR119 (0.60) GPR119
SCHEMBL384986 0.81 GPR119 (0.60) GPR119
SCHEMBL25547495 0.77 GPR119 (0.45) GPR119KDM4EPKM
SCHEMBL30452097 0.77 GPR119 (0.45) GPR119KDM4EPKM
SCHEMBL22284364 0.77 GPR119 (0.45) GPR119KDM4EPKM
SCHEMBL22284363 0.77 GPR119 (0.45) GPR119KDM4EPKM
SCHEMBL8534574 0.77 PIK3CD (0.51) GPR119USP30
SCHEMBL22284447 0.76 GPR119 (0.52) GPR119KDM4EPKM
SCHEMBL30451663 0.76 GPR119 (0.52) GPR119KDM4EPKM

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
EP-2417124-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR Eli Lilly and Company (US) 2012-02-15 EP disclosed
WO-2010117979-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 WO disclosed