SCHEMBL7133291

SCHEMBL7133291

O=C(O)c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CYP2C8 P10632 1/20 0.53
EPHX2 P34913 1/20 0.51
LMNA P02545 1/20 0.51
P2RY14 Q15391 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGS1 P23219 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
P2RX1 P51575 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
APOB P04114 1/20 0.49
IL2 P60568 1/20 0.49

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
SCHEMBL7087379 0.90 RXFP1 (0.57) NPC1RAB9ALMNAPTGS1SMN1; SMN2
SCHEMBL7086631 0.89 NPC1 (0.54) NPC1RAB9ALMNAPTGS1SMN1; SMN2
SCHEMBL6792746 0.88 PTGS1 (0.57) NPC1RAB9ALMNAPTGS1SMN1; SMN2
SCHEMBL3726223 0.86 NPC1 (0.61) NPC1RAB9ACYP2C8EPHX2P2RY14
SCHEMBL7079790 0.84 S1PR1 (0.51) NPC1RAB9ALMNAPTGS1SMN1; SMN2
SCHEMBL7086952 0.84 PLG (0.53) NPC1RAB9ALMNAPTGS1SMN1; SMN2
SCHEMBL7079806 0.84 NPC1 (0.49) NPC1RAB9ALMNAPTGS1SMN1; SMN2
SCHEMBL7083755 0.84 RXFP1 (0.56) NPC1RAB9APTGS1SMN1; SMN2TRPV1
SCHEMBL20601665 0.83 HTT (0.58) NPC1RAB9ALMNAKDM4EMAPK1
SCHEMBL7079526 0.82 MCHR1 (0.48) NPC1RAB9APTGS1SMN1; SMN2CHRNB2

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