SCHEMBL6978337

SCHEMBL6978337

CN[C@@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.61
ACE P12821 6/20 0.57
REN P00797 4/20 0.57
KDM4E B2RXH2 1/20 0.57
F2 P00734 1/20 0.57
LMNA P02545 1/20 0.57
LTA4H P09960 1/20 0.57
MAPT P10636 1/20 0.57
PEPD P12955 1/20 0.57
ALOX15 P16050 1/20 0.57
PTGS1 P23219 1/20 0.57
HTR2A P28223 1/20 0.57
PTGS2 P35354 1/20 0.57
HRH1 P35367 1/20 0.57
THPO P40225 1/20 0.57
PMP22 Q01453 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ACE2 Q9BYF1 1/20 0.57
RAB9A P51151 1/20 0.49

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
SCHEMBL30534327 1.00 DPP4 (0.61) DPP4ACERENKDM4EF2
SCHEMBL17305538 1.00 DPP4 (0.61) DPP4ACERENKDM4EF2
SCHEMBL14462167 0.94 DPP4 (0.56) DPP4ACERENKDM4EF2
SCHEMBL17020372 0.88 DPP4 (0.61) DPP4ACERENKDM4EF2
SCHEMBL3796192 0.86 ACE (0.50) DPP4ACERENKDM4EF2
SCHEMBL6738391 0.85 DPP4 (0.58) DPP4ACERENKDM4EF2
SCHEMBL4370494 0.85 DPP4 (0.58) DPP4ACERENKDM4EF2
SCHEMBL29973334 0.85 DPP4 (0.64) DPP4ACERENKDM4EF2
SCHEMBL13019815 0.84 ACE (0.60) ACERENKDM4EF2LMNA
SCHEMBL19817050 0.84 ACE (0.60) ACERENKDM4EF2LMNA

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
EP-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP disclosed