SCHEMBL7361706

SCHEMBL7361706

CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cccc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.45
LMNA P02545 1/20 0.45
P2RY12 Q9H244 4/20 0.43
KCNK3 O14649 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PREP P48147 5/20 0.42
FAP Q12884 3/20 0.42
FKBP1A P62942 1/20 0.40
CTSA P10619 1/20 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
SCHEMBL7361906 0.90 CYP1A2 (0.46) ACELMNAP2RY12KCNK3SMN1; SMN2
SCHEMBL7365866 0.86 ACE (0.48) ACELMNAPREPFAP
SCHEMBL7361568 0.81 PREP (0.48) ACELMNAKCNK3PREPFAP
SCHEMBL7363975 0.80 CYP2C19 (0.52) ACELMNAP2RY12KCNK3SMN1; SMN2
SCHEMBL7366766 0.80 PREP (0.66) ACELMNAKCNK3SMN1; SMN2PREP
SCHEMBL7361961 0.78 ACE (0.46) ACELMNAKCNK3SMN1; SMN2PREP
SCHEMBL7362111 0.76 ALDH1A1 (0.46) ACELMNAP2RY12KCNK3SMN1; SMN2
SCHEMBL7361318 0.76 ACE (0.50) ACELMNAPREPFAP
SCHEMBL8720975 0.76 ACE (0.45) ACELMNAKCNK3SMN1; SMN2PREP
SCHEMBL7369394 0.76 SMYD3 (0.50) 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 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