SCHEMBL6016914

SCHEMBL6016914

CS(=O)(=O)n1cnc2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c(=O)c21

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.65
CYP3A4 P08684 1/20 0.63
FAP Q12884 1/20 0.63

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
SCHEMBL3427243 0.88 DPP4 (0.79) DPP4CYP3A4FAP
SCHEMBL3427620 0.86 DPP4 (0.66) DPP4CYP3A4FAP
SCHEMBL3427616 0.86 DPP4 (0.66) DPP4CYP3A4FAP
SCHEMBL3427644 0.85 DPP4 (0.66) DPP4CYP3A4FAP
SCHEMBL3427638 0.85 DPP4 (0.66) DPP4CYP3A4FAP
SCHEMBL3424954 0.85 DPP4 (0.67) DPP4CYP3A4FAP
SCHEMBL3424957 0.85 DPP4 (0.67) DPP4CYP3A4FAP
SCHEMBL3427975 0.82 DPP4 (0.70) DPP4CYP3A4FAP
SCHEMBL3427972 0.82 DPP4 (0.70) DPP4CYP3A4FAP
SCHEMBL3428451 0.80 DPP4 (0.72) DPP4CYP3A4FAP

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-1608317-A4 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2006-12-27 EP disclosed
EP-1608317-A2 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda San Diego, Inc. (US) 2005-12-28 EP disclosed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO disclosed