SCHEMBL8345171

SCHEMBL8345171

N[C@@H](CC(=O)N1CCc2cnc(C(F)(F)F)nc2C1)Cc1cc(F)ccc1F

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.66
DPP7 Q9UHL4 16/20 0.66
DPP8 Q6V1X1 15/20 0.66
DPP9 Q86TI2 8/20 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
SCHEMBL4387254 0.92 DPP4 (0.56) DPP4DPP7DPP8DPP9
SCHEMBL4550698 0.90 DPP4 (0.61) DPP4DPP7DPP8DPP9
SCHEMBL4550697 0.90 DPP4 (0.61) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL4399414 0.89 DPP4 (0.61) DPP4DPP7DPP8DPP9
SCHEMBL4400632 0.86 DPP4 (0.60) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL4399397 0.85 DPP4 (0.59) DPP4DPP7DPP8DPP9
SCHEMBL4391641 0.85 DPP4 (0.60) DPP4DPP7DPP8DPP9
SCHEMBL1072764 0.85 DPP4 (0.70) DPP4DPP7DPP8DPP9
SCHEMBL1072765 0.85 DPP4 (0.70) DPP4DPP7DPP8DPP9
SCHEMBL4390625 0.84 DPP4 (0.69) DPP4DPP7DPP8DPP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554256-B1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2009-12-09 EP disclosed
US-7208498-B2 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK & CO., INC. (US) 2007-04-24 US disclosed
US-7208498-B2 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK & CO., INC. (US) 2007-04-24 US disclosed
WO-2004007468-A1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2004-01-22 WO disclosed