SCHEMBL6677499

SCHEMBL6677499

O=C(O)Nc1ccc(NC(=O)C2=C(c3ccc(C(F)(F)F)cc3)CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KIF11 P52732 1/20 0.47
DHODH Q02127 1/20 0.46
EPHX2 P34913 1/20 0.45
TRPV1 Q8NER1 3/20 0.45
PTGS1 P23219 2/20 0.45
LMNA P02545 1/20 0.44
RORC P51449 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
THRB P10828 1/20 0.43
SLC6A2 P23975 1/20 0.43
P2RY14 Q15391 1/20 0.43

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
SCHEMBL6678240 0.86 SLC6A2 (0.45) NPC1RAB9AKIF11EPHX2TRPV1
SCHEMBL6496056 0.81 MAPKAPK2 (0.66) NPC1RAB9ALMNAHIF1AEPAS1
SCHEMBL6490755 0.80 CA1 (0.51) LMNAHIF1AEPAS1
SCHEMBL6492770 0.79 SLC6A2 (0.52) KIF11PTGS1LMNASLC6A2
SCHEMBL6489466 0.79 SLC6A2 (0.52) KIF11PTGS1LMNASLC6A2
SCHEMBL6488184 0.79 SLC6A2 (0.52) KIF11PTGS1LMNASLC6A2
SCHEMBL6489462 0.79 SLC6A2 (0.52) KIF11PTGS1LMNASLC6A2
SCHEMBL6487719 0.79 MELK (0.51) TRPV1
SCHEMBL6488729 0.79 TRPV1 (0.51) TRPV1
SCHEMBL3914850 0.78 DHODH (0.64) NPC1RAB9ADHODHEPHX2TRPV1

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 2 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 disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed