SCHEMBL15936729

SCHEMBL15936729

CC(C)(C)OC(=O)N1CC(CNC(O)(O)c2ccccc2Br)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.58
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
ACKR3 P25106 1/20 0.43
RORC P51449 3/20 0.42
IDO1 P14902 2/20 0.41
USP30 Q70CQ3 2/20 0.41
BRD4 O60885 1/20 0.41
NR1H2 P55055 1/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
KDM1A O60341 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
STS P08842 1/20 0.38
TDO2 P48775 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL15932398 0.78 NAMPT (0.55) NAMPTKDM4EPKM
SCHEMBL21088591 0.77 NAMPT (0.62) NAMPTKDM4EPKMACKR3RORC
SCHEMBL5870674 0.75 NAMPT (0.62) NAMPTKDM4EPKMACKR3RORC
SCHEMBL31033426 0.75 NAMPT (0.50) NAMPTKDM4EPKMACKR3RORC
SCHEMBL31033427 0.75 NAMPT (0.50) NAMPTKDM4EPKMACKR3RORC
SCHEMBL8651537 0.74 NAMPT (0.61) NAMPTKDM4EPKMACKR3RORC
SCHEMBL3713202 0.74 NAMPT (1.00) NAMPTKDM4EPKMACKR3MAPK1
SCHEMBL15936742 0.74 NAMPT (0.47) NAMPTKDM4EPKM
SCHEMBL30662885 0.73 NAMPT (0.43) NAMPTKDM4EPKMACKR3RORC
SCHEMBL26610953 0.73 NAMPT (0.43) NAMPTKDM4EPKMACKR3RORC

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-2014121055-A2 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 WO disclosed