SCHEMBL5070864

SCHEMBL5070864

[CH2]C(C)(C)NCC(=O)N1CCCC1C#N

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.80
DPP8 Q6V1X1 2/20 0.80
DPP9 Q86TI2 2/20 0.80

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
SCHEMBL6255154 0.89 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL9950803 0.86 DPP4 (0.76) DPP4DPP8DPP9
SCHEMBL5066713 0.84 DPP4 (0.76) DPP4DPP8DPP9
SCHEMBL5066716 0.84 DPP4 (0.79) DPP4DPP8DPP9
SCHEMBL17460442 0.84 DPP4 (0.79) DPP4DPP8DPP9
SCHEMBL5068334 0.84 DPP4 (0.79) DPP4DPP8DPP9
SCHEMBL8274117 0.84 DPP4 (0.79) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL6595556 0.84 DPP4 (0.79) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5068248 0.83 DPP4 (0.77) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5068242 0.83 DPP4 (0.77) DPP4DPP8DPP9

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-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed