SCHEMBL7021763

SCHEMBL7021763

CC(=O)SCC(C(=O)NC(Cc1c[nH]c2ncccc12)C(=O)O)C1CCc2cc(Br)ccc21

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 20/20 0.62
MME P08473 1/20 0.51
ACE P12821 1/20 0.51

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
SCHEMBL6781739 0.93 ECE1 (0.54) ECE1MMEACE
SCHEMBL7020651 0.89 ECE1 (0.79) ECE1MMEACE
SCHEMBL6774836 0.89 ECE1 (0.79) ECE1MMEACE
SCHEMBL6776406 0.89 ECE1 (0.79) ECE1MMEACE
SCHEMBL7018859 0.88 ECE1 (0.56) ECE1MMEACE
SCHEMBL7019635 0.88 ECE1 (0.64) ECE1MMEACE
SCHEMBL7013157 0.87 ECE1 (0.69) ECE1MMEACE
SCHEMBL7015445 0.86 ECE1 (0.62) ECE1MMEACE
SCHEMBL7019040 0.85 ECE1 (0.66) ECE1MMEACE
SCHEMBL7022495 0.85 ECE1 (0.65) 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 disclosed