SCHEMBL6894924

SCHEMBL6894924

CC(C)CNC(c1ccccc1)[C@H](N)[C@@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
ANPEP P15144 1/20 0.42
ALDH1A1 P00352 1/20 0.42
AOC3 Q16853 6/20 0.41
APAF1 O14727 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.38
F2 P00734 1/20 0.38
ABCB1 P08183 1/20 0.37

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
SCHEMBL6895263 0.90 KDM4E (0.43) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL6894568 0.84 CYP3A4 (0.44) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL6887737 0.82 ANPEP (0.37) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL6895745 0.82 LMNA (0.47) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL29433956 0.81 AOC3 (0.53) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL6889436 0.80 SIGMAR1 (0.49) ADRA2ALMNAHIF1AANPEPALDH1A1
SCHEMBL6895074 0.78 HPGD (0.44) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL9286355 0.78 AOC3 (0.42) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL6893793 0.78 CYP3A4 (0.33)
SCHEMBL6895959 0.77 ADRA2C (0.47) KDM4EADRA2AADRA2CLMNAHIF1A

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