SCHEMBL7369918

SCHEMBL7369918

CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cccnc1Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.52
UGCG Q16739 5/20 0.49
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.46
ACE P12821 1/20 0.46
KCNK3 O14649 1/20 0.45
PREP P48147 3/20 0.45
FAP Q12884 1/20 0.44

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
SCHEMBL8476331 1.00 MAPK8 (0.52) MAPK8UGCGPOLBALDH1A1LMNA
SCHEMBL7363975 0.86 CYP2C19 (0.52) POLBALDH1A1LMNAACEKCNK3
SCHEMBL7361372 0.85 ACE (0.45) ALDH1A1LMNAACEKCNK3PREP
SCHEMBL7364635 0.85 ALDH1A1 (0.47) ALDH1A1LMNAACEKCNK3PREP
SCHEMBL7368109 0.84 PREP (0.43) POLBALDH1A1LMNAACEKCNK3
SCHEMBL7366700 0.84 ACE (0.50) POLBALDH1A1LMNAACEPREP
SCHEMBL8720975 0.78 ACE (0.45) ALDH1A1LMNAACEKCNK3PREP
SCHEMBL7369394 0.78 SMYD3 (0.50) ALDH1A1LMNAACEKCNK3PREP
SCHEMBL7368017 0.77 ACE (0.47) ALDH1A1LMNAACEKCNK3PREP
SCHEMBL7366766 0.75 PREP (0.66) ALDH1A1LMNAACEKCNK3PREP

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-0500989-B1 N-(alpha-substituted-pyridinyl) carbonyl dipeptide antihypertensive agents LACER SA (ES) 1998-12-09 EP disclosed
US-5432159-A N-(α-substituted-pyridinyl)carbonyl dipeptide antihypertensive agents LACER S.A. (ES) 1995-07-11 US disclosed
WO-1992015608-A1 N-(α-SUBSTITUTED-PYRIDINYL)CARBONYL DIPEPTIDE ANTIHYPERTENSIVE AGENTS LACER S.A. (ES) 1992-09-17 WO disclosed
EP-0500989-A1 N-(alpha-substituted-pyridinyl) carbonyl dipeptide antihypertensive agents LACER, S.A. (ES) 1992-09-02 EP disclosed