SCHEMBL3361992

SCHEMBL3361992

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.50
MAPKAPK2 P49137 11/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PDE10A Q9Y233 2/20 0.36
PDE4D Q08499 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
SCHEMBL3360962 0.85 DPP4 (0.41) DPP4MAPKAPK2ALDH1A1GAA
SCHEMBL3363973 0.82 DPP4 (0.43) DPP4MAPKAPK2
SCHEMBL3363369 0.81 DPP4 (0.50) DPP4MAPKAPK2
SCHEMBL3365213 0.79 DPP4 (0.47) DPP4
SCHEMBL3361886 0.78 DPP4 (0.41) DPP4
SCHEMBL3361995 0.78 DPP4 (0.39) DPP4PDE10A
SCHEMBL3361880 0.78 DPP4 (0.47) DPP4PDE10A
SCHEMBL3363284 0.77 DPP4 (0.41) DPP4MAPKAPK2ALDH1A1GAAPDE10A
SCHEMBL3361923 0.76 DPP4 (0.64) DPP4
SCHEMBL3361983 0.75 DPP4 (0.56) DPP4PDE10A

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