SCHEMBL6634730

SCHEMBL6634730

CCC(C(=O)NC[C@@H](O)C(Cc1ccccc1)NCC(C)(C)CN(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.46
POLB P06746 1/20 0.46
KDM4A O75164 1/20 0.44
BACE1 P56817 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41
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
SCHEMBL3490793 0.84 BCHE (0.60) BCHEBACE1
SCHEMBL3490792 0.84 BCHE (0.60) BCHEBACE1
SCHEMBL6636732 0.74 POLB (0.50) BCHEPOLBKDM4ABACE1MEN1
SCHEMBL3491060 0.72 BCHE (0.54) BCHEBACE1
SCHEMBL3491064 0.72 BCHE (0.54) BCHEBACE1
SCHEMBL3491799 0.71 BCHE (0.53) BCHEPOLBBACE1
SCHEMBL3491797 0.71 BCHE (0.53) BCHEPOLBBACE1
SCHEMBL3490810 0.71 BACE1 (0.65) BCHEBACE1
SCHEMBL3490808 0.71 BACE1 (0.65) BCHEBACE1
SCHEMBL3489233 0.68 BCHE (0.49) BCHEPOLBBACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409450-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2004-04-21 EP claimed
WO-2003006423-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 WO claimed