SCHEMBL3361880

SCHEMBL3361880

COc1cc2c(CC(=O)O)cnc(CNC(=O)OC(C)(C)C)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.47
PDE10A Q9Y233 6/20 0.38
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37

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
SCHEMBL3362189 0.86 DPP4 (0.43) DPP4PDE10A
SCHEMBL3362196 0.85 DPP4 (0.46) DPP4PDE10A
SCHEMBL3365213 0.84 DPP4 (0.47) DPP4PRMT5WDR77
SCHEMBL3361314 0.84 NPC1 (0.44) DPP4
SCHEMBL3361800 0.83 CTSL (0.43) DPP4MTNR1AMTNR1B
SCHEMBL3363973 0.83 DPP4 (0.43) DPP4PRMT5WDR77
SCHEMBL3362959 0.82 DPP4 (0.40) DPP4PDE10AMTNR1AMTNR1B
SCHEMBL3360434 0.81 DPP4 (0.41) DPP4PDE10A
SCHEMBL3363185 0.79 NAMPT (0.39) DPP4
SCHEMBL3361995 0.79 DPP4 (0.39) DPP4PDE10APRMT5WDR77

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-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed