SCHEMBL7019562

SCHEMBL7019562

CSc1ccc2c(c1)CCC2C(CSC(C)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 20/20 0.82
MME P08473 1/20 0.64
ACE P12821 1/20 0.64

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
SCHEMBL6770514 0.93 ECE1 (0.70) ECE1MMEACE
SCHEMBL7016780 0.91 ECE1 (0.79) ECE1MMEACE
SCHEMBL7020651 0.90 ECE1 (0.79) ECE1MMEACE
SCHEMBL7017252 0.90 ECE1 (0.68) ECE1MMEACE
SCHEMBL6771549 0.90 ECE1 (1.00) ECE1MMEACE
SCHEMBL6771543 0.90 ECE1 (1.00) ECE1MMEACE
SCHEMBL7017535 0.90 ECE1 (0.77) ECE1
SCHEMBL7013046 0.90 ECE1 (0.82) ECE1MMEACE
SCHEMBL7020754 0.89 ECE1 (0.81) ECE1MMEACE
SCHEMBL7016773 0.88 ECE1 (0.80) 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