SCHEMBL3813773

SCHEMBL3813773

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PEPD P12955 3/20 0.57
▸ XPNPEP1 Q9NQW7 2/20 0.51
▸ DPP4 P27487 8/20 0.46
▸ DPP8 Q6V1X1 7/20 0.46
▸ FAP Q12884 5/20 0.46
▸ DPP9 Q86TI2 5/20 0.46
▸ DPP7 Q9UHL4 5/20 0.46
▸ POLB P06746 1/20 0.44
▸ ACE P12821 3/20 0.43
▸ REN P00797 1/20 0.43
▸ FKBP1A P62942 1/20 0.42
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PKM P14618 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
SCHEMBL29880455 0.86 PEPD (0.56) PEPDXPNPEP1DPP4DPP8FAP
SCHEMBL5970696 0.83 ACE (0.57) PEPDDPP4DPP8FAPDPP9
SCHEMBL5970700 0.83 ACE (0.57) PEPDDPP4DPP8FAPDPP9
SCHEMBL2408415 0.83 OPRM1 (0.48) DPP4DPP8FAPDPP9DPP7
SCHEMBL7403908 0.81 DPP4 (0.59) PEPDXPNPEP1DPP4DPP8DPP9
SCHEMBL4067266 0.81 DPP4 (0.59) PEPDXPNPEP1DPP4DPP8DPP9
SCHEMBL4067269 0.81 DPP4 (0.59) PEPDXPNPEP1DPP4DPP8DPP9
SCHEMBL4337499 0.81 DPP4 (0.45) DPP4DPP8FAPDPP9DPP7
SCHEMBL4337493 0.81 DPP4 (0.45) DPP4DPP8FAPDPP9DPP7
SCHEMBL15528751 0.80 ACE (0.53) PEPDDPP4DPP8FAPDPP9

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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