SCHEMBL7079529

SCHEMBL7079529

O=C(O)C=Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TRPM2 O94759 1/20 0.47
MAOB P27338 1/20 0.46
USP2 O75604 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRPA1 O75762 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
PTGS1 P23219 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IL2 P60568 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
P4HB P07237 1/20 0.45
APOB P04114 1/20 0.45

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
SCHEMBL7079526 1.00 MCHR1 (0.48) MCHR1NPC1RAB9ATRPM2MAOB
SCHEMBL6788179 0.88 MEN1 (0.54) NPC1RAB9AMAOBUSP2TDP1
SCHEMBL6788183 0.88 MEN1 (0.54) NPC1RAB9AMAOBUSP2TDP1
SCHEMBL7086631 0.83 NPC1 (0.54) NPC1RAB9APTGS1SMN1; SMN2IL2
SCHEMBL7133291 0.82 NPC1 (0.56) NPC1RAB9APTGS1SMN1; SMN2IL2
SCHEMBL6792746 0.82 PTGS1 (0.57) NPC1RAB9APTGS1SMN1; SMN2IL2
SCHEMBL7087379 0.81 RXFP1 (0.57) NPC1RAB9APTGS1SMN1; SMN2IL2
SCHEMBL7079806 0.80 NPC1 (0.49) NPC1RAB9APTGS1SMN1; SMN2IL2
SCHEMBL7086952 0.80 PLG (0.53) NPC1RAB9APTGS1SMN1; SMN2IL2
SCHEMBL7079790 0.80 S1PR1 (0.51) NPC1RAB9APTGS1SMN1; SMN2IL2

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-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed