SCHEMBL6895070

SCHEMBL6895070

COCCNCC(O)C(N)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.47
F2 P00734 2/20 0.46
POLB P06746 1/20 0.44
LTA4H P09960 1/20 0.42
LAP3 P28838 4/20 0.42
ANPEP P15144 4/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
BCHE P06276 3/20 0.41
EPHX1 P07099 1/20 0.41
ERAP2 Q6P179 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3349680 1.00 CSNK1E (0.47) CSNK1EF2POLBLTA4HLAP3
SCHEMBL3355926 0.92 CSNK1E (0.48) CSNK1EF2LTA4HLAP3ANPEP
SCHEMBL6890895 0.85 CSNK1E (0.50) CSNK1EF2LTA4HLAP3ANPEP
SCHEMBL3347304 0.85 CSNK1E (0.50) CSNK1EF2LTA4HLAP3ANPEP
SCHEMBL3349250 0.84 DRD4 (0.53) F2LTA4H
SCHEMBL6890855 0.84 DRD4 (0.53) F2LTA4H
SCHEMBL5930069 0.84 CSNK1E (0.57) CSNK1EF2LAP3ANPEPRNPEP
SCHEMBL6892294 0.83 F2 (0.42) CSNK1EF2LAP3ANPEPRNPEP
SCHEMBL3354442 0.83 F2 (0.42) CSNK1EF2LAP3ANPEPRNPEP
SCHEMBL14627960 0.83 CSNK1E (0.53) CSNK1EF2LAP3ANPEPRNPEP

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