SCHEMBL8729415

SCHEMBL8729415

O=C(NCc1ccccc1)NC(Cc1ccccc1)C(O)CNCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.67
SLC6A11 P48066 1/20 0.67
BCHE P06276 9/20 0.59
ANPEP P15144 1/20 0.53
ATM Q13315 1/20 0.52

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
SCHEMBL8955274 0.92 BACE1 (0.57) BACE1SLC6A11BCHEANPEPATM
SCHEMBL8732014 0.90 BACE1 (0.55) BACE1SLC6A11BCHEANPEPATM
SCHEMBL8731471 0.90 BACE1 (0.55) BACE1SLC6A11BCHEANPEPATM
SCHEMBL8731402 0.89 BACE1 (0.56) BACE1SLC6A11BCHE
SCHEMBL8734184 0.89 BCHE (0.58) BACE1SLC6A11BCHEATM
SCHEMBL8734450 0.87 BCHE (0.68) BACE1SLC6A11BCHEANPEPATM
SCHEMBL7610027 0.87 BACE1 (0.71) BACE1SLC6A11BCHE
SCHEMBL7610032 0.87 BACE1 (0.71) BACE1SLC6A11BCHE
SCHEMBL8734455 0.86 L3MBTL1 (0.52) BACE1SLC6A11BCHEANPEPATM
SCHEMBL7647681 0.86 L3MBTL1 (0.52) BACE1SLC6A11BCHEANPEPATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708004-A ENZYME INHIBITORS FOR TREATMENT OF AIDS MONSANTO COMPANY (US) 1998-01-13 US disclosed
US-5703076-A TREATING HIV, AIDS G. D. SEARLE & CO. (US) 1997-12-30 US disclosed
US-5698569-A Retroviral protease inhibitors G. D. SEARLE & CO. (US) 1997-12-16 US disclosed
US-5510349-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5510487-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5510378-A Retroviral protease inhibitors G.D. SEARLE & CO. (US) 1996-04-23 US disclosed