SCHEMBL6894566

SCHEMBL6894566

CC(C)CCNCC(O)C(N)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.59
ANPEP P15144 2/20 0.59
RNPEP Q9H4A4 2/20 0.59
DNPEP Q9ULA0 2/20 0.59
CSNK1E P49674 1/20 0.51
F2 P00734 2/20 0.44
SLC6A2 P23975 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
SLC15A1 P46059 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SPPL2A Q8TCT8 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4689505 1.00 LAP3 (0.59) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL5220403 0.92 LAP3 (0.53) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL5224141 0.90 CSNK1E (0.55) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL1057036 0.86 CSNK1E (0.51) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL1286637 0.86 CSNK1E (0.51) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL1286638 0.86 CSNK1E (0.51) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL4039471 0.85 BCHE (0.58) CSNK1ESLC6A2SLC6A4SLC6A3MEN1
SCHEMBL5930069 0.85 CSNK1E (0.57) LAP3ANPEPRNPEPDNPEPCSNK1E
Hydrochloric Acid SCHEMBL5223863 0.85 CSNK1E (0.50) LAP3ANPEPRNPEPDNPEPCSNK1E
Hydrochloric Acid SCHEMBL8734228 0.85 CSNK1E (0.50) LAP3ANPEPRNPEPDNPEPCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
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