SCHEMBL7079164

SCHEMBL7079164

CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.48
KDM1A O60341 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
CHEK2 O96017 1/20 0.41
PDE7B Q9NP56 1/20 0.40
APP P05067 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL7079166 1.00 PRMT5 (0.48) PRMT5KDM1ATRPV1ALOX5APFEN1
SCHEMBL1598762 0.85 DPP4 (0.43) PRMT5CYP2D6DPP4DPP8DPP9
SCHEMBL1598763 0.85 DPP4 (0.43) PRMT5CYP2D6DPP4DPP8DPP9
SCHEMBL5026513 0.83 PRMT5 (0.52) PRMT5KDM1ATRPV1ALOX5APFEN1
SCHEMBL1597673 0.82 DPP4 (0.46) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL1597671 0.82 DPP4 (0.46) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL1597674 0.82 DPP4 (0.46) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL1597799 0.79 RAB9A (0.42) HCRTR1HCRTR2
SCHEMBL1597740 0.79 POLB (0.46) HCRTR1HCRTR2
SCHEMBL1597734 0.79 POLB (0.46) HCRTR1HCRTR2

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-2003051368-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-06-26 WO disclosed