SCHEMBL17548552

SCHEMBL17548552

N#CC(C#N)C(c1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.54
FFAR1 O14842 2/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SRC P12931 1/20 0.48
MAPT P10636 4/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47
AR P10275 1/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
KCNH2 Q12809 1/20 0.47
MGAM O43451 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
IMPDH2 P12268 1/20 0.45
IMPDH1 P20839 1/20 0.45

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
SCHEMBL28471624 0.88 MEN1 (0.50) GPR84FFAR1MEN1KMT2ASRC
SCHEMBL28475935 0.88 GAA (0.49) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL28471061 0.85 GPR84 (0.46) GPR84FFAR1MEN1KMT2ASRC
SCHEMBL28475628 0.85 NR3C1 (0.62) GPR84FFAR1MEN1KMT2ASRC
SCHEMBL28465658 0.81 VDR (0.52) GPR84FFAR1MEN1KMT2ASRC
SCHEMBL28466091 0.80 SRC (0.54) GPR84MEN1KMT2ASRCMAPT
SCHEMBL28465402 0.79 MAPT (0.54) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL27981638 0.77 GPR84 (0.77) GPR84FFAR1MEN1KMT2ASRC
SCHEMBL4331721 0.77 GPR84 (0.54) GPR84FFAR1MEN1KMT2ASRC
SCHEMBL1348083 0.75 CYP2D6 (0.57) GPR84FFAR1MEN1KMT2ASRC

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-2016029310-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-03-03 WO disclosed