SCHEMBL6892294

SCHEMBL6892294

NC(Cc1ccccc1)C(O)CNCCOCCO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.42
CSNK1E P49674 1/20 0.42
BCHE P06276 3/20 0.39
EPHX1 P07099 1/20 0.39
LAP3 P28838 3/20 0.38
ANPEP P15144 2/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
MMP2 P08253 1/20 0.37
SLC15A1 P46059 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
KCNH3 Q9ULD8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ERAP2 Q6P179 1/20 0.36

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
SCHEMBL3354442 1.00 F2 (0.42) F2CSNK1EBCHEEPHX1LAP3
SCHEMBL3347304 0.88 CSNK1E (0.50) F2CSNK1EBCHEEPHX1LAP3
SCHEMBL6890895 0.88 CSNK1E (0.50) F2CSNK1EBCHEEPHX1LAP3
SCHEMBL6895070 0.83 CSNK1E (0.47) F2CSNK1EBCHEEPHX1LAP3
SCHEMBL3349680 0.83 CSNK1E (0.47) F2CSNK1EBCHEEPHX1LAP3
SCHEMBL4693184 0.83 F2 (0.40) F2CSNK1EBCHEEPHX1LAP3
SCHEMBL3349250 0.82 DRD4 (0.53) F2
SCHEMBL6890855 0.82 DRD4 (0.53) F2
SCHEMBL3349626 0.82 CSNK1E (0.48) F2CSNK1EBCHEEPHX1LAP3
SCHEMBL14627960 0.81 CSNK1E (0.53) F2CSNK1EBCHEEPHX1LAP3

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 3 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