SCHEMBL7009799

SCHEMBL7009799

O=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)C1CCc2cc(Br)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 20/20 1.00
MME P08473 1/20 0.79
ACE P12821 1/20 0.79

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
SCHEMBL6775044 1.00 ECE1 (1.00) ECE1MMEACE
SCHEMBL6775041 1.00 ECE1 (1.00) ECE1MMEACE
SCHEMBL6774865 0.93 ECE1 (0.88) ECE1MMEACE
SCHEMBL6774863 0.93 ECE1 (0.88) ECE1MMEACE
SCHEMBL6775485 0.91 ECE1 (1.00) ECE1MMEACE
SCHEMBL6775490 0.91 ECE1 (1.00) ECE1MMEACE
SCHEMBL6780789 0.90 ECE1 (0.82) ECE1MMEACE
SCHEMBL6780793 0.90 ECE1 (0.82) ECE1MMEACE
SCHEMBL6774359 0.90 ECE1 (0.82) ECE1MMEACE
SCHEMBL6774364 0.90 ECE1 (0.82) 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 1 patent. 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 claimed