SCHEMBL7679505

SCHEMBL7679505

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

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.70
ANPEP P15144 3/20 0.70
DNPEP Q9ULA0 3/20 0.70
RNPEP Q9H4A4 2/20 0.70
REN P00797 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
CCR1 P32246 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46

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
SCHEMBL7589901 1.00 LAP3 (0.70) LAP3ANPEPDNPEPRNPEPREN
SCHEMBL4071253 0.91 CYP3A4 (0.56) LAP3ANPEPDNPEPRNPEPREN
SCHEMBL12609439 0.82 LAP3 (1.00) LAP3ANPEPDNPEPRNPEPREN
SCHEMBL6832228 0.79 CCR1 (0.54) LAP3ANPEPDNPEPRNPEPCCR1
SCHEMBL7580246 0.79 CCR1 (0.54) LAP3ANPEPDNPEPRNPEPCCR1
SCHEMBL3210913 0.78 ANPEP (0.74) LAP3ANPEPDNPEPRNPEPL3MBTL1
SCHEMBL7299909 0.78 ANPEP (0.74) LAP3ANPEPDNPEPRNPEPL3MBTL1
SCHEMBL3210919 0.78 ANPEP (0.74) LAP3ANPEPDNPEPRNPEPL3MBTL1
SCHEMBL4043571 0.76 REN (0.63) LAP3ANPEPDNPEPRNPEPREN
SCHEMBL4068036 0.76 REN (0.62) LAP3RENCCR1ERAP2ERAP1

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-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 US disclosed