SCHEMBL6894923

SCHEMBL6894923

Nc1ccccc1CNCC(O)C(N)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.47
CSNK1E P49674 1/20 0.43
F2 P00734 2/20 0.43
ANPEP P15144 1/20 0.42
EPHX1 P07099 1/20 0.41
BACE1 P56817 3/20 0.40
SLC6A11 P48066 1/20 0.40
MMP2 P08253 1/20 0.38
SLC15A1 P46059 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL3349188 1.00 BCHE (0.47) BCHECSNK1EF2ANPEPEPHX1
SCHEMBL496172 0.85 BCHE (0.61) BCHECSNK1EF2ANPEPEPHX1
SCHEMBL2605624 0.85 BCHE (0.61) BCHECSNK1EF2ANPEPEPHX1
SCHEMBL7951036 0.85 BCHE (0.61) BCHECSNK1EF2ANPEPEPHX1
SCHEMBL3353939 0.85 BCHE (0.61) BCHECSNK1EF2ANPEPEPHX1
SCHEMBL3357054 0.84 LMNA (0.50) BCHECSNK1EF2
SCHEMBL3348531 0.84 BCHE (0.46) BCHECSNK1EF2EPHX1BACE1
SCHEMBL6895727 0.84 BCHE (0.46) BCHECSNK1EF2EPHX1BACE1
SCHEMBL3352254 0.84 BCHE (0.48) BCHECSNK1EF2BACE1OPRD1
SCHEMBL4044475 0.83 BCHE (0.45) BCHECSNK1EF2ANPEPEPHX1

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