SCHEMBL7084419

SCHEMBL7084419

O=C(Nc1ccc(OCCc2ccccn2)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
SMO Q99835 2/20 0.45
TRPV1 Q8NER1 1/20 0.44
SORT1 Q99523 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
LRRK2 Q5S007 4/20 0.42
POLB P06746 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
P2RX1 P51575 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL6792614 0.91 SMO (0.55) MAPTLMNATDP1SMOTRPV1
SCHEMBL6490917 0.86 TRPV1 (0.47) MAPTLMNATDP1SMOTRPV1
SCHEMBL6641308 0.86 PKM (0.51) MAPTLMNASMOTRPV1SORT1
SCHEMBL6643055 0.84 SMO (0.46) MAPTLMNASMOTRPV1SORT1
SCHEMBL7080705 0.84 SMO (0.49) LMNASMOTRPV1SORT1LRRK2
SCHEMBL6641215 0.84 SMO (0.50) MAPTLMNATDP1SMOTRPV1
SCHEMBL7086871 0.80 HTR2C (0.49) SMOTRPV1SORT1RAB9ALRRK2
SCHEMBL6795346 0.78 SMO (0.59) SMOTRPV1
SCHEMBL6638787 0.78 LMNA (0.55) MAPTLMNATDP1TRPV1MEN1
SCHEMBL7087226 0.78 SMO (0.49) MAPTLMNASMOTRPV1SORT1

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