SCHEMBL8720975

SCHEMBL8720975

CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cccn(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.45
LMNA P02545 1/20 0.45
KCNK3 O14649 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CNR2 P34972 1/20 0.42
PREP P48147 8/20 0.40
FAP Q12884 4/20 0.40
ALDH1A1 P00352 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
SCHEMBL7369394 0.83 SMYD3 (0.50) ACELMNAKCNK3SMN1; SMN2PREP
SCHEMBL7363975 0.80 CYP2C19 (0.52) ACELMNAKCNK3SMN1; SMN2PREP
SCHEMBL7368017 0.80 ACE (0.47) ACELMNAKCNK3SMN1; SMN2PREP
SCHEMBL7368109 0.79 PREP (0.43) ACELMNAKCNK3SMN1; SMN2PREP
SCHEMBL7361961 0.78 ACE (0.46) ACELMNAKCNK3SMN1; SMN2PREP
SCHEMBL7369918 0.78 MAPK8 (0.52) ACELMNAKCNK3PREPFAP
SCHEMBL8476331 0.78 MAPK8 (0.52) ACELMNAKCNK3PREPFAP
SCHEMBL7361372 0.77 ACE (0.45) ACELMNAKCNK3SMN1; SMN2PREP
SCHEMBL7364635 0.76 ALDH1A1 (0.47) ACELMNAKCNK3SMN1; SMN2PREP
SCHEMBL7361906 0.76 CYP1A2 (0.46) ACELMNAKCNK3SMN1; SMN2PREP

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
EP-0500989-B1 N-(alpha-substituted-pyridinyl) carbonyl dipeptide antihypertensive agents LACER SA (ES) 1998-12-09 EP disclosed
EP-0500989-A1 N-(alpha-substituted-pyridinyl) carbonyl dipeptide antihypertensive agents LACER, S.A. (ES) 1992-09-02 EP disclosed