SCHEMBL5591602

SCHEMBL5591602

FC(F)(F)c1ccc(N2CCCc3cc[c]cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOX4 Q9NPH5 3/20 0.38
LIPE Q05469 2/20 0.36
HSD11B1 P28845 1/20 0.36
MOGAT2 Q3SYC2 1/20 0.35
KDR P35968 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DHFR P00374 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.33
FPR1 P21462 1/20 0.32

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
SCHEMBL699695 0.89 SCN9A (0.45) SCN9ANPC1RAB9AMAPTMAPK1
SCHEMBL22719567 0.76 SCN9A (0.48) SCN9ANPC1RAB9AMAPTMAPK1
SCHEMBL29505029 0.76 SCN9A (0.48) SCN9ANPC1RAB9AMAPTMAPK1
SCHEMBL699190 0.74 ALDH1A1 (0.44) SCN9AMAPTDHFRNOTUMKDM4E
SCHEMBL5591764 0.72 SCN9A (0.40) SCN9ANPC1RAB9ANOX4LIPE
SCHEMBL15703756 0.72 SCN9A (0.40) SCN9ANPC1RAB9AMAPTMAPK1
SCHEMBL2091102 0.72 SCN9A (0.55) SCN9ANPC1RAB9AMAPTMAPK1
SCHEMBL16719802 0.71 DDB1 (0.39) NPC1RAB9AMAPK1L3MBTL1MEN1
SCHEMBL547971 0.71 MAPT (0.41) MAPTTP53KDM4EALDH1A1
SCHEMBL22719524 0.70 SLC6A9 (0.44) SCN9ARAB9AMAPTMAPK1NOX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076104-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2007-07-05 WO disclosed