SCHEMBL8735273

SCHEMBL8735273

CC(C)CNC(C(=O)NC(C)(C)C)C(O)C(N)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.48
ANPEP P15144 4/20 0.48
RNPEP Q9H4A4 2/20 0.48
DNPEP Q9ULA0 2/20 0.48
CTRB1 P17538 3/20 0.40
SLC15A1 P46059 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ENPEP Q07075 1/20 0.39

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
SCHEMBL9064384 0.79 LAP3 (0.55) LAP3ANPEPRNPEPDNPEPCTRB1
SCHEMBL21012314 0.77 LAP3 (0.62) LAP3ANPEPRNPEPDNPEPCTRB1
Hydrochloric Acid SCHEMBL20474466 0.76 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPCTRB1
Hydrochloric Acid SCHEMBL17595990 0.76 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPCTRB1
SCHEMBL4814562 0.76 LAP3 (0.49) LAP3ANPEPRNPEPDNPEP
SCHEMBL12234221 0.74 ALPI (0.58) LAP3ANPEPRNPEPDNPEPCTRB1
SCHEMBL22369889 0.74 ALPI (0.58) LAP3ANPEPRNPEPDNPEPCTRB1
SCHEMBL7547746 0.74 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPCTRB1
SCHEMBL6430008 0.74 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPCTRB1
SCHEMBL15314130 0.72 CYP3A4 (0.59)

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 5 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-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