SCHEMBL7368017

SCHEMBL7368017

CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1ccc[nH]c1=S

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.47
LMNA P02545 1/20 0.47
KCNK3 O14649 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
PREP P48147 6/20 0.40
FAP Q12884 2/20 0.40
SMYD3 Q9H7B4 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 0.90 SMYD3 (0.50) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL7362109 0.87 ACE (0.48) ACELMNAALDH1A1GAAHTT
SCHEMBL7367819 0.82 ALDH1A1 (0.43) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL7362190 0.82 ALDH1A1 (0.43) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL8720975 0.80 ACE (0.45) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL7363975 0.80 CYP2C19 (0.52) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL7362731 0.79 SMYD3 (0.50) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL7360103 0.79 ACE (0.43) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL7368109 0.78 PREP (0.43) ACELMNAKCNK3SMN1; SMN2ALDH1A1
SCHEMBL8718290 0.77 SMYD3 (0.53) ACELMNAPREPFAPSMYD3

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