SCHEMBL3398030

SCHEMBL3398030

[CH2]C(=O)N1CCC[C@H]1C#N

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.57
PREP P48147 1/20 0.56
DPP8 Q6V1X1 5/20 0.54
DPP9 Q86TI2 4/20 0.54
DPP7 Q9UHL4 1/20 0.53

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
SCHEMBL3344556 1.00 DPP4 (0.57) DPP4PREPDPP8DPP9DPP7
SCHEMBL858699 0.82 DPP4 (0.59) DPP4PREPDPP8DPP9DPP7
SCHEMBL5314581 0.82 DPP4 (0.59) DPP4PREPDPP8DPP9DPP7
SCHEMBL26094394 0.82 DPP4 (0.59) DPP4PREPDPP8DPP9DPP7
SCHEMBL3362068 0.82 DPP4 (0.59) DPP4PREPDPP8DPP9DPP7
SCHEMBL8256353 0.80 DPP4 (0.57) DPP4PREPDPP8DPP9DPP7
SCHEMBL5147875 0.80 DPP4 (0.62) DPP4PREPDPP8DPP9DPP7
SCHEMBL8253205 0.80 DPP4 (0.57) DPP4PREPDPP8DPP9DPP7
SCHEMBL4465428 0.80 DPP4 (0.62) DPP4PREPDPP8DPP9
SCHEMBL1239549 0.80 DPP4 (0.62) DPP4PREPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022690-A2 A METHOD OF PREPARATION OF HIGHLY PURE VILDAGLIPTIN ZENTIVA, K.S. (CZ) 2010-03-04 WO claimed
CN-117177958-A Small molecule modulators of alveolar type 2cell proliferation for the treatment of pulmonary diseases 斯克里普斯研究学院 2023-12-05 CN disclosed