SCHEMBL8280237

SCHEMBL8280237

CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C#N)[C@H]1CC[C@H](N)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.53
DPP8 Q6V1X1 5/20 0.52
DPP9 Q86TI2 3/20 0.52
DPP7 Q9UHL4 1/20 0.46
PREP P48147 2/20 0.45

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
SCHEMBL3741673 0.83 DPP4 (0.49) DPP4DPP8DPP9DPP7PREP
SCHEMBL6358538 0.83 DPP4 (0.61) DPP4DPP8DPP9DPP7
SCHEMBL6358540 0.83 DPP4 (0.61) DPP4DPP8DPP9DPP7
SCHEMBL8250574 0.80 DPP4 (0.54) DPP4DPP8DPP9DPP7PREP
SCHEMBL6358516 0.79 AAK1 (0.42) PREP
SCHEMBL6358515 0.79 AAK1 (0.42) PREP
SCHEMBL6360005 0.79 AAK1 (0.42) PREP
SCHEMBL6358520 0.79 AAK1 (0.42) PREP
SCHEMBL6359604 0.77 PREP (0.65) DPP4DPP8DPP9DPP7PREP
SCHEMBL6359606 0.77 PREP (0.65) DPP4DPP8DPP9DPP7PREP

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-2005100334-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-27 WO disclosed