SCHEMBL4706423

SCHEMBL4706423

Cc1ccc(-c2c(CCNC(=O)OC(C)(C)C)c(CC(C)C)nc3ccc(OS(=O)(=O)C(F)(F)F)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.51

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
SCHEMBL3893403 0.92 DPP4 (0.53) DPP4
SCHEMBL3894699 0.85 DPP4 (0.57) DPP4
SCHEMBL3902182 0.84 DPP4 (0.43) DPP4
SCHEMBL3895522 0.79 DPP4 (0.71) DPP4
SCHEMBL3894790 0.78 DPP4 (0.48) DPP4
SCHEMBL4703573 0.78 DPP4 (0.60) DPP4
SCHEMBL3890555 0.78 DPP4 (0.53) DPP4
SCHEMBL3903889 0.77 DPP4 (0.51) DPP4
SCHEMBL3890557 0.77 DPP4 (0.72) DPP4
SCHEMBL3894703 0.77 DPP4 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527049-B8 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-10-29 EP disclosed
EP-1527049-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2005-05-04 EP disclosed
WO-2004014860-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 WO disclosed