SCHEMBL4076385

SCHEMBL4076385

NC(Cc1ccc(F)cc1)Cc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
SLC1A1 P43005 2/20 0.51
TAAR1 Q96RJ0 4/20 0.48
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
DPP4 P27487 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
SLC6A4 P31645 1/20 0.44
MAOB P27338 3/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
ANPEP P15144 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 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
SCHEMBL5230112 0.85 SLC1A1 (0.55) EPHX1SLC1A1TAAR1IDO1AGXT
SCHEMBL5230103 0.85 SLC1A1 (0.55) EPHX1SLC1A1TAAR1IDO1AGXT
SCHEMBL7967754 0.85 SLC1A1 (0.55) EPHX1SLC1A1TAAR1IDO1AGXT
SCHEMBL3191528 0.84 SLC6A4 (0.58) EPHX1TAAR1IDO1AGXTDPP4
SCHEMBL7458228 0.83 TAAR1 (0.55) EPHX1SLC1A1TAAR1IDO1AGXT
SCHEMBL21417631 0.81 SLC1A1 (0.51) EPHX1SLC1A1TAAR1IDO1AGXT
SCHEMBL3130819 0.80 SLC1A1 (0.50) SLC1A1TAAR1IDO1AGXTDPP4
SCHEMBL14478266 0.79 PNMT (0.60) SLC1A1TAAR1IDO1AGXTSLC6A4
SCHEMBL1530031 0.79 PNMT (0.60) SLC1A1TAAR1IDO1AGXTSLC6A4
SCHEMBL29410132 0.79 PNMT (0.60) SLC1A1TAAR1IDO1AGXTSLC6A4

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
JP-2009007259-A METHOD FOR PRODUCING 6-FLUORO-3-(4-FLUOROBENZYL)-1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVE KOWA CO 2009-01-15 JP disclosed