SCHEMBL8529149

SCHEMBL8529149

CC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1CCC(=O)NC1=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.44
CPA1 P15085 1/20 0.42
CPB1 P15086 1/20 0.42
CPA2 P48052 1/20 0.42
CPA4 Q9UI42 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
CTSD P07339 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CTSE P14091 1/20 0.42
PGC P20142 1/20 0.42
CAPN1 P07384 1/20 0.41

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
SCHEMBL8527394 0.94 ALDH1A1 (0.47) CPA1CPB1CPA2CPA4ACE2
SCHEMBL8531003 0.88 REN (0.49) BACE1CTSD
SCHEMBL8527225 0.83 REN (0.55) CAPN1
SCHEMBL7421185 0.76 CPA1 (0.59) BACE1CPA1CPB1CPA2CPA4
SCHEMBL8527595 0.74 CTSS (0.51)
SCHEMBL8529162 0.73 CTSL (0.55) CPA1CPB1CPA2CPA4ACE2
SCHEMBL7419119 0.72 CPA1 (0.53) BACE1CPA1CPB1CPA2CPA4
SCHEMBL29112224 0.72 MME (0.58) BACE1CPA1ACE2
SCHEMBL6248305 0.71 CTSB (0.55) CPA1CPB1CPA2CPA4ACE2
SCHEMBL7270319 0.71 CTSS (0.52) CPA1ACE2CTSDALDH1A1CTSE

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-5821331-A INHIBIT THE PROTEOLYTIC ACTIVITY OF PROTEASES ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
US-5514778-A ENZYME INHIBITORS OF PROTEOLYTIC ENZYMES FOR RHINOVIRUSES ELI LILLY AND COMPANY (US) 1996-05-07 US disclosed
EP-0632051-A1 Anti-picornaviral agents ELI LILLY AND COMPANY (US) 1995-01-04 EP disclosed