SCHEMBL8159707

SCHEMBL8159707

O=C(O)CN(C(=O)[C@@H](CS)CCCc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.50
GRIK1 P39086 1/20 0.44

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
SCHEMBL8459593 1.00 ACE (0.50) ACEGRIK1
SCHEMBL8171167 1.00 ACE (0.50) ACEGRIK1
SCHEMBL8159638 0.96 ACE (0.54) ACE
SCHEMBL8166795 0.95 ACE (0.53) ACE
SCHEMBL8166776 0.95 ACE (0.53) ACE
SCHEMBL8165378 0.92 ACE (0.47) ACE
SCHEMBL8167144 0.92 ACE (0.47) ACE
SCHEMBL8462662 0.85 ACE (0.48) ACE
SCHEMBL8161868 0.84 ACE (0.41) ACE
SCHEMBL8170548 0.83 CPA3 (0.57) ACE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US claimed
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US disclosed
EP-0900197-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1997030027-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-08-21 WO disclosed