SCHEMBL8837682

SCHEMBL8837682

CC(=O)SC(Cc1ccccc1)C(=O)NC1COc2ccccc2N(CC(=O)O)C1=O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.73
ACE P12821 12/20 0.73
XIAP P98170 5/20 0.51
RIPK1 Q13546 1/20 0.49
NPY1R P25929 1/20 0.47

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
SCHEMBL8837688 1.00 MME (0.73) MMEACEXIAPRIPK1NPY1R
SCHEMBL8428443 0.85 MME (1.00) MMEACE
SCHEMBL7433496 0.83 ACE (0.72) MMEACEXIAP
SCHEMBL7433488 0.83 ACE (0.72) MMEACEXIAP
SCHEMBL7437629 0.83 ACE (0.72) MMEACEXIAP
SCHEMBL7449038 0.83 ACE (0.72) MMEACEXIAP
SCHEMBL7437620 0.83 ACE (0.72) MMEACEXIAP
SCHEMBL7440309 0.83 ACE (0.72) MMEACEXIAP
SCHEMBL7447490 0.83 ACE (0.72) MMEACEXIAP
SCHEMBL7447485 0.83 ACE (0.72) MMEACEXIAP

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
US-5646276-A ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITORS; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-08 US disclosed