SCHEMBL14939738

SCHEMBL14939738

CC(C)(C)OC(=O)N1CC(C(C#N)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.45
GPR119 Q8TDV5 2/20 0.44
NAMPT P43490 1/20 0.43
USP30 Q70CQ3 3/20 0.42
ATM Q13315 1/20 0.42
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 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
SCHEMBL14938939 0.90 GPR119 (0.50) GPR119USP30KDM4EPKMJAK2
SCHEMBL23587587 0.88 GPR119 (0.54) GPR119KDM4EPKM
SCHEMBL31668195 0.88 HDAC1 (0.43) RORCGPR119USP30JAK2JAK1
SCHEMBL23830783 0.81 USP30 (0.48) RORCGPR119NAMPTUSP30ATM
SCHEMBL25199634 0.81 RORC (0.48) RORCGPR119NAMPTUSP30ATM
SCHEMBL23034196 0.79 GPR119 (0.44) RORCGPR119NAMPTUSP30ATM
SCHEMBL31668194 0.79 MMP13 (0.48) GPR119JAK2JAK1
SCHEMBL29479702 0.78 GPR119 (0.44) RORCGPR119NAMPTUSP30ATM
SCHEMBL23012872 0.78 USP30 (0.42) RORCGPR119NAMPTUSP30ATM
SCHEMBL21381612 0.76 MMP13 (0.52) GPR119JAK2JAK1

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-2013068785-A1 INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 WO disclosed