SCHEMBL7017535

SCHEMBL7017535

CC(=O)SCC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C1CCc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 20/20 0.77

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
SCHEMBL7019719 0.95 ECE1 (0.78) ECE1
SCHEMBL6781454 0.92 ECE1 (0.65) ECE1
SCHEMBL7016780 0.91 ECE1 (0.79) ECE1
SCHEMBL7020651 0.91 ECE1 (0.79) ECE1
SCHEMBL7017252 0.91 ECE1 (0.68) ECE1
SCHEMBL7019562 0.90 ECE1 (0.82) ECE1
SCHEMBL7013046 0.90 ECE1 (0.82) ECE1
SCHEMBL7020754 0.89 ECE1 (0.81) ECE1
SCHEMBL7144697 0.89 ECE1 (0.81) ECE1
SCHEMBL7011052 0.89 ECE1 (0.80) ECE1

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