SCHEMBL5032330

SCHEMBL5032330

N#Cc1ccccc1Cn1c(N2CCCC(N)C2)ncc(/C=C/c2ccc(F)cc2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP8 Q6V1X1 4/20 1.00
CYP3A4 P08684 1/20 0.64

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
SCHEMBL8229034 1.00 DPP4 (1.00) DPP4DPP8CYP3A4
SCHEMBL3392452 1.00 DPP4 (1.00) DPP4DPP8CYP3A4
SCHEMBL3388710 0.88 DPP4 (1.00) DPP4DPP8
SCHEMBL3388711 0.88 DPP4 (1.00) DPP4DPP8
SCHEMBL3388714 0.88 DPP4 (1.00) DPP4DPP8
SCHEMBL3390501 0.86 DPP4 (1.00) DPP4DPP8
SCHEMBL3390500 0.86 DPP4 (1.00) DPP4DPP8
SCHEMBL204349 0.84 DPP4 (1.00) DPP4DPP8CYP3A4
SCHEMBL204350 0.84 DPP4 (1.00) DPP4DPP8CYP3A4
SCHEMBL27875485 0.84 DPP4 (1.00) DPP4DPP8CYP3A4

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-1506967-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2007-11-21 EP claimed
EP-1911754-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2013-10-09 EP disclosed
EP-1911754-A1 Dipeptidyl peptidase inhibitors Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed