SCHEMBL15936742

SCHEMBL15936742

CC(C)(C)OC(=O)NCC1CN(C(O)(O)c2ccccc2Br)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
DRD2 P14416 2/20 0.45
ACACB O00763 10/20 0.44
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
ACACA Q13085 6/20 0.41
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL15934192 0.77 NAMPT (0.49) NAMPTDRD2ACACBCKS1BSKP1
SCHEMBL21089377 0.76 NAMPT (0.56) NAMPTDRD2ACACBCKS1BSKP1
SCHEMBL25081005 0.74 NAMPT (0.67) NAMPTDRD2ACACBCKS1BSKP1
SCHEMBL16745437 0.74 NAMPT (0.46) NAMPTDRD2ACACBCKS1BSKP1
SCHEMBL15936729 0.74 NAMPT (0.58) NAMPTKDM4EPKM
SCHEMBL25080814 0.72 NAMPT (0.53) NAMPTDRD2ACACBCKS1BSKP1
SCHEMBL21088591 0.72 NAMPT (0.62) NAMPTDRD2KDM4EPKM
SCHEMBL3024605 0.71 NAMPT (0.50) NAMPTDRD2ACACBCKS1BSKP1
SCHEMBL7390125 0.70 NAMPT (0.49) NAMPTDRD2ACACBCKS1BSKP1
SCHEMBL15841222 0.70 NAMPT (0.46) NAMPTDRD2ACACBCKS1BSKP1

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