SCHEMBL6677946

SCHEMBL6677946

NC(=O)c1c(-c2ccccc2)cccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.49
SCN9A Q15858 5/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.45
PARP1 P09874 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
FABP4 P15090 1/20 0.41
SLC13A5 Q86YT5 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SLC9A1 P19634 1/20 0.40
FOLH1 Q04609 1/20 0.40

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
SCHEMBL29978674 1.00 BCAT2 (0.49) BCAT2SCN9AALDH1A1HPGDKDM4E
SCHEMBL2484725 0.88 PARP1 (0.49) SCN9AALDH1A1HPGDLMNASCN10A
SCHEMBL344492 0.86 ALDH1A1 (0.49) SCN9AALDH1A1HPGDFFAR4FABP4
SCHEMBL6584244 0.83 ALDH1A1 (0.43) SCN9AALDH1A1HPGDFFAR4FABP4
SCHEMBL11459853 0.83 NR1H2 (0.49) ALDH1A1HPGDLMNAFFAR4FABP4
Urea SCHEMBL27881390 0.82 FFAR4 (0.54) BCAT2SCN9AALDH1A1HPGDSCN10A
SCHEMBL7878426 0.82 MAOB (0.42) SCN9AALDH1A1HPGDKDM4ELMNA
SCHEMBL6842022 0.82 BCAT2 (0.63) BCAT2ALDH1A1HPGDLMNATSHR
SCHEMBL2484727 0.81 ALDH1A1 (0.44) BCAT2SCN9AALDH1A1HPGDKDM4E
SCHEMBL28078706 0.80 IKBKB (0.49) SCN9ASCN10A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP claimed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO claimed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed