SCHEMBL7051158

SCHEMBL7051158

O=C(O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCCc1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 1/20 0.52
METAP2 P50579 1/20 0.49
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
HDAC8 Q9BY41 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BACE1 P56817 5/20 0.44
SLC6A11 P48066 1/20 0.44
PYGL P06737 1/20 0.43
BCHE P06276 2/20 0.42

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
SCHEMBL7051160 1.00 MEN1 (0.54) MEN1KMT2AHPGDMETAP2PLAAT3
SCHEMBL7619115 0.89 BACE1 (0.51) MEN1KMT2AATML3MBTL1BACE1
SCHEMBL7619106 0.89 BACE1 (0.51) MEN1KMT2AATML3MBTL1BACE1
SCHEMBL5388616 0.86 KLK5 (0.52) MEN1KMT2AHPGDMETAP2PLAAT3
SCHEMBL5388612 0.86 KLK5 (0.52) MEN1KMT2AHPGDMETAP2PLAAT3
SCHEMBL7607679 0.85 ALDH1A1 (0.49) MEN1KMT2AHPGDPLAAT3PLAAT5
SCHEMBL3348155 0.82 BACE1 (0.54) BACE1SLC6A11BCHE
SCHEMBL3348148 0.82 BACE1 (0.54) BACE1SLC6A11BCHE
SCHEMBL3352913 0.82 METAP2 (0.55) MEN1KMT2AHPGDMETAP2PLAAT3
Hydrochloric Acid SCHEMBL5217997 0.81 METAP2 (0.54) MEN1KMT2AHPGDMETAP2PLAAT3

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