SCHEMBL5803391

SCHEMBL5803391

N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(C1)CC(NCC(=O)N1CCC[C@H]1C#N)(C3)C2

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.87
FAP Q12884 1/20 0.87
DPP8 Q6V1X1 1/20 0.87
DPP9 Q86TI2 1/20 0.87
PREP P48147 1/20 0.62

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
SCHEMBL5803813 1.00 DPP4 (0.87) DPP4FAPDPP8DPP9PREP
SCHEMBL5803394 1.00 DPP4 (0.87) DPP4FAPDPP8DPP9PREP
SCHEMBL5789098 0.95 DPP4 (0.83) DPP4FAPDPP8DPP9PREP
SCHEMBL5805315 0.93 DPP4 (0.77) DPP4FAPDPP8DPP9PREP
SCHEMBL26661289 0.93 DPP4 (0.77) DPP4FAPDPP8DPP9PREP
SCHEMBL26661345 0.93 DPP4 (0.77) DPP4FAPDPP8DPP9PREP
Vildagliptin SCHEMBL16823370 0.93 DPP4 (1.00) DPP4FAPDPP8DPP9PREP
Vildagliptin SCHEMBL16579 0.93 DPP4 (1.00) DPP4FAPDPP8DPP9PREP
Vildagliptin SCHEMBL10031674 0.93 DPP4 (1.00) DPP4FAPDPP8DPP9PREP
Vildagliptin SCHEMBL671629 0.93 DPP4 (1.00) DPP4FAPDPP8DPP9PREP

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-2006012441-A1 PEPTIDASE INHIBITORS ROYALTY SUSAN MARIE (US) 2006-02-02 WO disclosed