SCHEMBL4696783

SCHEMBL4696783

NC(Cc1ccccc1)C(O)CNCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.55
ERAP2 Q6P179 1/20 0.55
ADRB2 P07550 3/20 0.50
CSNK1E P49674 1/20 0.48
F2 P00734 1/20 0.47
EPHX1 P07099 1/20 0.46
SIGMAR1 Q99720 4/20 0.44
BCHE P06276 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KCNH2 Q12809 1/20 0.44
NPC1 O15118 1/20 0.43
KDM1A O60341 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2C8 P10632 1/20 0.43

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
SCHEMBL496056 1.00 ANPEP (0.55) ANPEPERAP2ADRB2CSNK1EF2
SCHEMBL4044665 1.00 ANPEP (0.55) ANPEPERAP2ADRB2CSNK1EF2
SCHEMBL3347864 1.00 ANPEP (0.55) ANPEPERAP2ADRB2CSNK1EF2
Hydrochloric Acid SCHEMBL496686 0.98 ANPEP (0.54) ANPEPERAP2ADRB2CSNK1EF2
Hydrochloric Acid SCHEMBL5219517 0.98 ANPEP (0.54) ANPEPERAP2ADRB2CSNK1EF2
SCHEMBL3348102 0.92 ANPEP (0.48) ANPEPERAP2ADRB2CSNK1EF2
SCHEMBL3348066 0.92 KDM4E (0.51) ANPEPERAP2ADRB2CSNK1EF2
SCHEMBL3357077 0.92 ANPEP (0.48) ANPEPERAP2ADRB2CSNK1EF2
SCHEMBL6890169 0.92 ANPEP (0.48) ANPEPERAP2ADRB2CSNK1EF2
SCHEMBL4038793 0.92 ANPEP (0.48) ANPEPERAP2ADRB2CSNK1EF2

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 7 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
EP-1910317-A1 1-AMINO LINKED COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP disclosed
WO-2007015805-A1 1-AMINO LINKED COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed
US-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed