SCHEMBL8296804

SCHEMBL8296804

CN(C(=O)[C@@H](N)C(C)(C)C)C1(C#N)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.54
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
KDM5A P29375 1/20 0.31

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
SCHEMBL8296553 0.72 DPP4 (0.40) DPP4DPP8DPP9
SCHEMBL27693121 0.70 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL387066 0.70 DPP4 (1.00) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL7418293 0.70 DPP4 (0.35) DPP4
SCHEMBL21713731 0.70 KDM5A (0.33) KDM5A
SCHEMBL11252615 0.69 L3MBTL1 (0.39) KDM5A
SCHEMBL11254536 0.68 L3MBTL1 (0.41)
SCHEMBL4956827 0.67 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL5103035 0.67 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL8321440 0.66 DPP4 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005025554-A2 DIPEPTIDYL PEPTIDASE IV INHIBITOR JAPAN TOBACCO INC. (JP) 2005-03-24 WO disclosed