SCHEMBL8207795

SCHEMBL8207795

NC(=O)N1Cc2cccc(F)c2C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.57
DPP9 Q86TI2 3/20 0.57
DPP7 Q9UHL4 3/20 0.57
TRAP1 Q12931 5/20 0.55
HSP90B1 P14625 2/20 0.52
NAMPT P43490 1/20 0.44
ABHD6 Q9BV23 2/20 0.43
HTR5A P47898 3/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NOTUM Q6P988 1/20 0.39
LMNA P02545 1/20 0.39
TIPARP Q7Z3E1 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 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
SCHEMBL3055486 0.84 TRAP1 (0.56) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL30772456 0.84 TRAP1 (0.56) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL497487 0.84 TRAP1 (0.56) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL8404042 0.83 NOTUM (0.61) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL17887854 0.83 DPP8 (0.50) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL8227303 0.83 TRAP1 (0.55) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL8217297 0.81 TRAP1 (0.53) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL27908431 0.81 TRAP1 (0.51) DPP8DPP9DPP7TRAP1NAMPT
SCHEMBL6886590 0.80 DPP8 (0.54) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL3478866 0.79 DPP8 (0.60) DPP8DPP9DPP7TRAP1HSP90B1

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-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO disclosed