SCHEMBL8704281

SCHEMBL8704281

FC(F)(F)c1ccc2nc(C3=CCN(Cc4cccc(Cl)c4)CC3)[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.71
DRD3 P35462 7/20 0.71
DRD2 P14416 5/20 0.71
SLC2A1 P11166 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NPBWR1 P48145 4/20 0.44
HTR6 P50406 1/20 0.43
BACE1 P56817 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
DGAT1 O75907 1/20 0.42
KCNH2 Q12809 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL8704278 0.93 DRD4 (0.62) DRD4DRD3DRD2KDM4EMEN1
SCHEMBL8709286 0.89 DRD4 (0.88) DRD4DRD3DRD2KDM4EMEN1
SCHEMBL8709280 0.83 DRD4 (0.74) DRD4DRD3DRD2MEN1KMT2A
SCHEMBL8709397 0.83 DRD4 (1.00) DRD4DRD3DRD2KDM4EMEN1
SCHEMBL8705140 0.81 DRD4 (1.00) DRD4DRD3DRD2KDM4EMEN1
SCHEMBL8709395 0.77 DRD4 (0.84) DRD4DRD3DRD2HTR6OPRM1
SCHEMBL8704932 0.75 DRD4 (1.00) DRD4DRD3DRD2MAPTHTR6
SCHEMBL8705132 0.75 DRD4 (0.83) DRD4DRD3DRD2HTR6OPRM1
SCHEMBL8708195 0.75 DRD4 (1.00) DRD4DRD3DRD2MAPTHTR6
SCHEMBL8704454 0.75 DRD4 (0.79) DRD4DRD3DRD2KDM4EMEN1

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
US-5849765-A Tetrahydropyridine derivatives as dopamine receptor subtype ligands MERCK SHARP & DOHME, LTD. (GB) 1998-12-15 US disclosed