SCHEMBL11196676

SCHEMBL11196676

N#CC1CN1C(=O)OCCOC(=O)N1CC1C#N

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 15/20 0.33
▸ DPP7 Q9UHL4 3/20 0.33
▸ PREP P48147 1/20 0.33
▸ GBA2 Q9HCG7 1/20 0.33
▸ DPP8 Q6V1X1 3/20 0.32
▸ DPP9 Q86TI2 3/20 0.32

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
SCHEMBL11200586 0.91 DPP4 (0.36) DPP4PREPGBA2DPP8DPP9
SCHEMBL11193905 0.91 GBA2 (0.33) DPP4DPP7PREPGBA2DPP8
SCHEMBL11200959 0.89 DPP4 (0.31) DPP4DPP7PREPGBA2
SCHEMBL11195793 0.89 DPP4 (0.31) DPP4DPP7PREPGBA2
SCHEMBL11201734 0.89 DPP4 (0.33) DPP4DPP7PREPDPP8DPP9
SCHEMBL11197112 0.86 ALDH1A1 (0.41) DPP4PREPDPP8
SCHEMBL11201934 0.85 GBA2 (0.51) DPP4GBA2
SCHEMBL11192374 0.83 OPRM1 (0.47) DPP4DPP7PREPDPP8DPP9
SCHEMBL11201904 0.82 DPP4 (0.49) DPP4DPP7DPP8DPP9
SCHEMBL11196802 0.82 DPP4 (0.34) DPP4DPP7PREPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4376731-A 2-NITRILES THEREOF BOEHRINGER MANNHEIM GMBH (DE) 1983-03-15 — — US disclosed
Send feedback