SCHEMBL8802016

SCHEMBL8802016

O=C(N[C@H]1CCCN2CC[C@@H](C(=O)O)N2C1=O)[C@@H](S)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 1.00
MME P08473 7/20 1.00
APP P05067 1/20 0.59

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
SCHEMBL7341056 0.97 ACE (1.00) ACEMMEAPP
SCHEMBL7351462 0.84 ACE (0.78) ACEMMEAPP
SCHEMBL7374154 0.84 ACE (0.78) ACEMMEAPP
SCHEMBL12494708 0.84 ACE (0.78) ACEMMEAPP
SCHEMBL12526776 0.84 ACE (0.78) ACEMMEAPP
SCHEMBL7373963 0.84 ACE (0.72) ACEMME
SCHEMBL7342051 0.83 ACE (1.00) ACEMMEAPP
SCHEMBL8837738 0.83 ACE (0.75) ACEMMEAPP
SCHEMBL7341792 0.83 ACE (0.75) ACEMMEAPP
SCHEMBL7380923 0.83 ACE (1.00) ACEMMEAPP

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
US-5654294-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB (US) 1997-08-05 US disclosed
EP-0783002-A2 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-07-09 EP disclosed
US-5646276-A ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITORS; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-08 US disclosed