SCHEMBL8718290

SCHEMBL8718290

C[C@H](NC(=O)c1ccc[nH]c1=O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.53
ACE P12821 11/20 0.48
PREP P48147 1/20 0.47
FAP Q12884 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
ACE2 Q9BYF1 4/20 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
SCHEMBL7362109 0.89 ACE (0.48) ACEPREPFAPMEN1KMT2A
SCHEMBL7369394 0.86 SMYD3 (0.50) SMYD3ACEPREPFAPLMNA
SCHEMBL11104635 0.83 ACE (0.55) ACEPREPFAPMEN1KMT2A
SCHEMBL22209483 0.80 PREP (0.52) ACEPREPFAPLMNAACE2
SCHEMBL11435575 0.79 ACE (0.71) ACEPREPFAPACE2
SCHEMBL3472327 0.79 ACE (0.71) ACEPREPFAPACE2
SCHEMBL29749309 0.79 ACE (0.71) ACEPREPFAPACE2
SCHEMBL3470492 0.79 ACE (0.49) ACEPREPFAPMEN1KMT2A
SCHEMBL7359048 0.79 SMYD3 (0.53) SMYD3ACEPREPFAPACE2
SCHEMBL7367902 0.78 PREP (0.49) ACEPREPFAPLMNAACE2

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 3 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
EP-0500989-A1 N-(alpha-substituted-pyridinyl) carbonyl dipeptide antihypertensive agents LACER, S.A. (ES) 1992-09-02 EP disclosed