SCHEMBL4400657

SCHEMBL4400657

O=C(CCn1ccc2ccccc21)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CNCc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.41
CTSD P07339 3/20 0.41
BACE2 Q9Y5Z0 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A11 P48066 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
SCHEMBL4393781 1.00 BACE1 (0.41) BACE1CTSDBACE2KDM4EALDH1A1
SCHEMBL4399031 0.88 KDM4E (0.50) BACE1CTSDBACE2KDM4EALDH1A1
SCHEMBL4399028 0.88 KDM4E (0.50) BACE1CTSDBACE2KDM4EALDH1A1
SCHEMBL4400888 0.84 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL4394658 0.84 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL4389966 0.84 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL4400890 0.84 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL4399447 0.83 MAPT (0.42) BACE1CTSDBACE2LMNA
SCHEMBL4401547 0.83 MAPT (0.42) BACE1CTSDBACE2LMNA
SCHEMBL3490791 0.82 BACE1 (0.48) BACE1CTSDBACE2ALDH1A1SLC6A11

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-B1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARM INC (US) 2009-12-09 EP claimed
EP-1409450-B1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARM INC (US) 2009-12-09 EP disclosed