SCHEMBL3392273

SCHEMBL3392273

FC(F)(F)Oc1ccc(C2CCN(CC#Cc3cccc(Br)c3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.38
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GRM2 Q14416 1/20 0.36
TEAD1 P28347 2/20 0.35
BCHE P06276 3/20 0.35
ACHE P22303 3/20 0.35
BACE1 P56817 3/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SCN9A Q15858 1/20 0.34
DRD2 P14416 2/20 0.34
HTR1A P08908 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3394621 0.85 FAAH (0.39) FAAHEPHX2SLC6A4SLC6A3GRM2
SCHEMBL13070020 0.79 MBTD1 (0.51) TEAD1BCHEACHEBACE1
SCHEMBL3713843 0.76 GRM2 (0.37) FAAHEPHX2GRM2
SCHEMBL3393472 0.75 MAOB (0.50) FAAHEPHX2DRD2
Trifluoroacetic Acid SCHEMBL3392279 0.72 EPHX2 (0.36) FAAHEPHX2GRM2SCN9A
SCHEMBL3398473 0.72 TEAD1 (0.57) GRM2TEAD1BCHEACHEBACE1
SCHEMBL19538689 0.70 TSHR (0.60) FAAHEPHX2GRM2BCHEACHE
SCHEMBL3715589 0.69 GRM2 (0.37) EPHX2GRM2HRH3DRD2HTR1A
SCHEMBL17878028 0.68 FAAH (0.53) FAAHGRM2SCN9ADRD2DRD3
SCHEMBL4564168 0.66 L3MBTL1 (0.47) FAAHEPHX2SLC6A4GRM2HRH3

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
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed