SCHEMBL6107516

SCHEMBL6107516

CCCCOc1c(CN(C(=O)O)C(C)(C)C)n(CC(C)C)c(=O)c2ccc(C(N)=NO)cc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.41
GAA P10253 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6108430 0.92 DPP4 (0.49) DPP4NPC1
SCHEMBL6108595 0.90 DPP4 (0.42) DPP4
SCHEMBL6107604 0.89 DPP4 (0.40) DPP4
SCHEMBL6108201 0.86 DPP4 (0.39) DPP4
SCHEMBL6106220 0.85 DPP4 (0.45) DPP4
SCHEMBL6108026 0.85 DPP4 (0.43) DPP4
SCHEMBL6109274 0.85 DPP4 (0.54) DPP4HSD17B10
SCHEMBL6107740 0.85 PGR (0.39) DPP4
SCHEMBL6108025 0.85 DPP4 (0.44) DPP4LMNA
SCHEMBL6107876 0.83 DPP4 (0.43) DPP4

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
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed