SCHEMBL9064384

SCHEMBL9064384

CC(C)CCC(C(=O)NC(C)(C)C)[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.55
ANPEP P15144 2/20 0.55
RNPEP Q9H4A4 2/20 0.55
DNPEP Q9ULA0 2/20 0.55
CTRB1 P17538 3/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
SLC15A1 P46059 1/20 0.40
ENPEP Q07075 1/20 0.39
CSNK1E P49674 1/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 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
SCHEMBL7547746 0.82 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPCTRB1
SCHEMBL6430008 0.82 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPCTRB1
SCHEMBL7318493 0.80 POLB (0.43) LAP3ANPEPRNPEPDNPEPPOLB
SCHEMBL8735273 0.79 LAP3 (0.48) LAP3ANPEPRNPEPDNPEPCTRB1
SCHEMBL21012314 0.78 LAP3 (0.62) LAP3ANPEPRNPEPDNPEPCTRB1
Hydrochloric Acid SCHEMBL17595990 0.77 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPCTRB1
Hydrochloric Acid SCHEMBL20474466 0.77 LAP3 (0.60) LAP3ANPEPRNPEPDNPEPCTRB1
SCHEMBL6225271 0.77 LAP3 (0.51) LAP3ANPEPRNPEPDNPEPCTRB1
SCHEMBL22369889 0.75 ALPI (0.58) LAP3ANPEPRNPEPDNPEPCTRB1
SCHEMBL12234221 0.75 ALPI (0.58) LAP3ANPEPRNPEPDNPEPCTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510487-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed