SCHEMBL3817115

SCHEMBL3817115

CC(C)CC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.41
▸ REN P00797 3/20 0.41
▸ DPP8 Q6V1X1 3/20 0.41
▸ DPP9 Q86TI2 3/20 0.41
▸ DPP7 Q9UHL4 3/20 0.41
▸ FAP Q12884 2/20 0.41
▸ XIAP P98170 1/20 0.41
▸ ACE P12821 3/20 0.41
▸ STAT3 P40763 5/20 0.40
▸ OPRM1 P35372 1/20 0.39

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
SCHEMBL2408415 0.84 OPRM1 (0.48) DPP4RENDPP8DPP9DPP7
SCHEMBL2393010 0.82 DPP4 (0.49) DPP4RENDPP8DPP9DPP7
SCHEMBL4337493 0.80 DPP4 (0.45) DPP4RENDPP8DPP9DPP7
SCHEMBL4337499 0.80 DPP4 (0.45) DPP4RENDPP8DPP9DPP7
SCHEMBL3813773 0.78 PEPD (0.57) DPP4RENDPP8DPP9DPP7
SCHEMBL23781697 0.78 DPP4 (0.49) DPP4RENDPP8DPP9DPP7
SCHEMBL24011941 0.78 DPP4 (0.49) DPP4RENDPP8DPP9DPP7
SCHEMBL23781698 0.78 DPP4 (0.49) DPP4RENDPP8DPP9DPP7
SCHEMBL5970696 0.78 ACE (0.57) DPP4RENDPP8DPP9DPP7
SCHEMBL5970700 0.78 ACE (0.57) DPP4RENDPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086993-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS Zedira GmbH (DE) 2009-08-12 — — EP claimed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 — — WO claimed
EP-2086993-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS Zedira GmbH (DE) 2009-08-12 — — EP disclosed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 — — WO disclosed
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