SCHEMBL7020608

SCHEMBL7020608

CC(=O)SCC(C(=O)NC(Cc1cn(C)c2ccccc12)C(=O)O)C1CCc2cc(Br)ccc21

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 20/20 0.56
MME P08473 1/20 0.46
ACE P12821 1/20 0.46

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
SCHEMBL6774677 0.93 ECE1 (0.48) ECE1MMEACE
SCHEMBL6781468 0.89 ECE1 (0.70) ECE1MMEACE
SCHEMBL6781473 0.89 ECE1 (0.70) ECE1MMEACE
SCHEMBL7019729 0.85 ECE1 (0.57) ECE1MMEACE
SCHEMBL7020651 0.84 ECE1 (0.79) ECE1MMEACE
SCHEMBL7012794 0.83 ECE1 (0.55) ECE1MMEACE
SCHEMBL7013157 0.81 ECE1 (0.69) ECE1MMEACE
SCHEMBL7021763 0.81 ECE1 (0.62) ECE1MMEACE
SCHEMBL7020334 0.81 ECE1 (0.58) ECE1MMEACE
SCHEMBL7015445 0.80 ECE1 (0.62) ECE1MMEACE

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-1255757-B1 AMINO ACID DERIVATIVES AND USE THEREOF AS NEP, ACE AND ECE INHIBITORS INST NAT SANTE RECH MED (FR) 2003-06-18 EP disclosed
EP-1255757-A1 AMINO ACID DERIVATIVES AND USE THEREOF AS NEP, ACE AND ECE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-11-13 EP disclosed
WO-2001060822-A1 AMINO ACID DERIVATIVES AND USE THEREOF AS NEP, ACE AND ECE INHIBITORS INSTITUT NATIONAL DE LA RECHERCHE MEDICALE INSERM (FR) 2001-08-23 WO disclosed