SCHEMBL4706483

SCHEMBL4706483

Cc1ccc(-c2c(CC(C)(C)C)c(CC(C)C)nc3ccc(OCC#N)cc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.58

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
SCHEMBL3907904 0.86 DPP4 (0.62) DPP4
SCHEMBL4707310 0.84 DPP4 (0.58) DPP4
SCHEMBL4706480 0.84 DPP4 (0.50) DPP4
SCHEMBL4704821 0.82 DPP4 (0.78) DPP4
SCHEMBL4706040 0.81 DPP4 (0.82) DPP4
SCHEMBL4706880 0.81 DPP4 (0.58) DPP4
SCHEMBL4706842 0.81 DPP4 (0.45) DPP4
SCHEMBL4704039 0.80 DPP4 (0.56) DPP4
SCHEMBL4706450 0.80 DPP4 (0.59) DPP4
SCHEMBL5242122 0.75 DPP4 (0.49) 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