SCHEMBL6017292

SCHEMBL6017292

N#Cc1ccccc1Cn1c(N2CCC[C@@H](Nc3ccccc3)C2)nc2ccc(Cl)cc2c1=O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.78
CYP3A4 P08684 12/20 0.78

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
SCHEMBL3427609 0.88 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3427608 0.88 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3422331 0.81 DPP4 (1.00) DPP4CYP3A4
SCHEMBL7154904 0.79 DPP4 (0.53) DPP4CYP3A4
SCHEMBL7154899 0.79 DPP4 (0.53) DPP4CYP3A4
SCHEMBL3421937 0.78 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3426273 0.78 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3426274 0.78 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3425219 0.78 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3420785 0.77 DPP4 (1.00) 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