SCHEMBL8304926

SCHEMBL8304926

Nc1ccccc1Cn1c(N2CCC[C@@H](N)C2)nc2c(Cl)cc(Cl)cc2c1=O

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.80
CYP3A4 P08684 6/20 0.80
KCNH2 Q12809 1/20 0.53

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
SCHEMBL3424625 0.89 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3424622 0.89 DPP4 (1.00) DPP4CYP3A4
SCHEMBL8302314 0.79 DPP4 (0.79) DPP4CYP3A4
SCHEMBL3425436 0.78 DPP4 (1.00) DPP4CYP3A4
SCHEMBL8306122 0.77 DPP4 (0.80) DPP4CYP3A4
SCHEMBL3427608 0.76 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3427609 0.76 DPP4 (1.00) DPP4CYP3A4
SCHEMBL555439 0.75 DPP4 (0.79) DPP4
SCHEMBL14258037 0.75 DPP4 (0.79) DPP4
SCHEMBL8234627 0.74 DPP4 (0.77) 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-1608317-B1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2012-09-26 EP disclosed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO disclosed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO disclosed