SCHEMBL3361995

SCHEMBL3361995

COc1cc2c(N(S)C(N)=O)cnc(CNC(=O)OC(C)(C)C)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.39
CYP2D6 P10635 1/20 0.36
PDE10A Q9Y233 4/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ATM Q13315 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL3360966 0.85 DPP4 (0.41) DPP4CYP2D6DYRK1A
SCHEMBL3363973 0.82 DPP4 (0.43) DPP4PRMT5WDR77ATM
SCHEMBL3361880 0.79 DPP4 (0.47) DPP4PDE10APRMT5WDR77
SCHEMBL3365213 0.78 DPP4 (0.47) DPP4CYP2D6PRMT5WDR77
SCHEMBL3361992 0.78 DPP4 (0.50) DPP4PDE10A
SCHEMBL3362196 0.75 DPP4 (0.46) DPP4PDE10A
SCHEMBL3361923 0.75 DPP4 (0.64) DPP4
SCHEMBL3361990 0.75 DPP4 (0.44) DPP4PRMT5WDR77KDM4E
SCHEMBL3362189 0.75 DPP4 (0.43) DPP4PDE10AATMKDM4E
SCHEMBL3361983 0.74 DPP4 (0.56) DPP4PDE10AKDM4E

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