SCHEMBL6017205

SCHEMBL6017205

N#Cc1ccccc1Cn1c(N2CCC[C@@H]([AsH2])C2)nc2c(ncn2Cc2ccccc2C#N)c1=O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.57
CYP3A4 P08684 7/20 0.57

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
SCHEMBL6017207 1.00 DPP4 (0.57) DPP4CYP3A4
SCHEMBL3425160 0.90 DPP4 (0.70) DPP4CYP3A4
SCHEMBL3425161 0.90 DPP4 (0.70) DPP4CYP3A4
SCHEMBL3428084 0.83 DPP4 (0.66) DPP4CYP3A4
SCHEMBL3425772 0.83 DPP4 (0.66) DPP4CYP3A4
SCHEMBL3423939 0.81 DPP4 (0.70) DPP4CYP3A4
SCHEMBL8236545 0.81 DPP4 (0.70) DPP4CYP3A4
SCHEMBL6017057 0.79 DPP4 (0.58) DPP4CYP3A4
SCHEMBL5132760 0.78 DPP4 (0.80) DPP4CYP3A4
SCHEMBL5132758 0.78 DPP4 (0.80) DPP4CYP3A4

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