SCHEMBL3586029

SCHEMBL3586029

N#Cc1ccccc1Cc1nc(N2CCC[C@@H](N)C2)[nH]c(=O)c1C=Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.56
DPP8 Q6V1X1 3/20 0.56
CYP3A4 P08684 3/20 0.48
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL5304451 0.85 DPP4 (0.52) DPP4CYP3A4
SCHEMBL3586023 0.82 DPP4 (0.47) DPP4DPP8CYP3A4
SCHEMBL5034640 0.81 DPP4 (0.52) DPP4CYP3A4
SCHEMBL6508227 0.79 DPP4 (0.54) DPP4CYP3A4
SCHEMBL6507784 0.77 DPP4 (0.59) DPP4
SCHEMBL6426896 0.77 DPP4 (0.55) DPP4CYP3A4
SCHEMBL6511158 0.77 DPP4 (0.56) DPP4
SCHEMBL3392452 0.72 DPP4 (1.00) DPP4DPP8CYP3A4
SCHEMBL8229034 0.72 DPP4 (1.00) DPP4DPP8CYP3A4
SCHEMBL5032330 0.72 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790736-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US claimed
EP-1506967-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2007-11-21 EP claimed
EP-1506967-A1 Dipeptidyl peptidase inhibitors Syrrx, Inc. (US) 2005-02-16 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
EP-1506967-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2007-11-21 EP disclosed
EP-1506967-A1 Dipeptidyl peptidase inhibitors Syrrx, Inc. (US) 2005-02-16 EP disclosed