SCHEMBL5307458

SCHEMBL5307458

O=C(NC1CC1)c1ccc(C2CCC(C(=O)c3ccccc3C(F)(F)F)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.41
DPP7 Q9UHL4 4/20 0.41
SCD O00767 3/20 0.41
HCRTR1 O43613 1/20 0.40
MAPK14 Q16539 1/20 0.40
DHODH Q02127 2/20 0.39
PTGES O14684 4/20 0.39
FLT3 P36888 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 1/20 0.38
MGLL Q99685 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38

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
SCHEMBL5307816 0.96 HCRTR1 (0.43) DPP4DPP7SCDHCRTR1MAPK14
SCHEMBL5311601 0.96 PTGES (0.44) DPP4DPP7SCDHCRTR1PTGES
SCHEMBL5308057 0.95 PTGES (0.45) SCDHCRTR1PTGESALDH1A1L3MBTL1
SCHEMBL5309106 0.87 HPGD (0.41) SCDDHODHFLT3PRKAB2PRKAG1
SCHEMBL5313055 0.86 KDM4E (0.52) SCDHCRTR1DHODHL3MBTL1MGLL
SCHEMBL5307867 0.84 ABL1 (0.41) SCDHCRTR1PTGESFLT3L3MBTL1
SCHEMBL5312923 0.83 NPC1 (0.44) ALDH1A1L3MBTL1
SCHEMBL5313034 0.80 MGLL (0.45) SCDMAPK14ALDH1A1L3MBTL1MGLL
SCHEMBL5307724 0.78 USP30 (0.47) DPP4DPP7SCDHCRTR1PTGES
SCHEMBL5329482 0.74 KDM4E (0.48) SCDDHODHL3MBTL1MGLL

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-2007044085-A2 HETEROARYL COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-19 WO disclosed