SCHEMBL14020488

SCHEMBL14020488

FC(F)(F)c1ccc(-c2ccc(CNC[C@H]3CCCN3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
IDO1 P14902 3/20 0.41
TDO2 P48775 3/20 0.41
SCN9A Q15858 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
IL1B P01584 3/20 0.39
HTR5A P47898 1/20 0.39
SLC2A1 P11166 2/20 0.39
HTR6 P50406 2/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL1750429 0.83 POLB (0.46) LTA4HHTR5A
SCHEMBL19353591 0.82 IDO1 (0.49) LTA4HIDO1TDO2SCN9AIL1B
SCHEMBL17056178 0.78 IDO1 (0.42) IDO1TDO2SCN9AIL1B
SCHEMBL21376997 0.78 SCN9A (0.51) LTA4HSCN9A
SCHEMBL3652732 0.77 KMT2A (0.51) LTA4H
SCHEMBL1162602 0.77 POLB (0.56) LTA4H
SCHEMBL10132546 0.77 POLB (0.56) LTA4HIDO1TDO2HTR6
SCHEMBL22456442 0.77 POLB (0.56) LTA4HIDO1TDO2HTR6
SCHEMBL1162536 0.77 POLB (0.56) LTA4H
SCHEMBL8854588 0.77 POLB (0.56) LTA4H

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-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 EP disclosed