SCHEMBL6887672

SCHEMBL6887672

NC(Cc1ccccc1)C(O)CNCc1cccc(I)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.49
BCHE P06276 5/20 0.48
F2 P00734 2/20 0.44
LMNA P02545 1/20 0.42
CSNK1E P49674 1/20 0.42
TACR1 P25103 1/20 0.41

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
SCHEMBL4043229 1.00 BACE1 (0.49) BACE1BCHEF2LMNACSNK1E
Hydrochloric Acid SCHEMBL7112444 0.99 BACE1 (0.48) BACE1BCHEF2LMNACSNK1E
SCHEMBL3356792 0.87 BACE1 (0.59) BACE1
Hydrochloric Acid SCHEMBL3348659 0.86 BACE1 (0.58) BACE1
SCHEMBL496172 0.85 BCHE (0.61) BACE1BCHEF2LMNACSNK1E
SCHEMBL7951036 0.85 BCHE (0.61) BACE1BCHEF2LMNACSNK1E
SCHEMBL2605624 0.85 BCHE (0.61) BACE1BCHEF2LMNACSNK1E
SCHEMBL3353939 0.85 BCHE (0.61) BACE1BCHEF2LMNACSNK1E
SCHEMBL3357197 0.85 FNTA (0.49) BACE1BCHEF2LMNACSNK1E
SCHEMBL4045124 0.85 FNTA (0.49) BACE1BCHEF2LMNACSNK1E

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