SCHEMBL6887737

SCHEMBL6887737

CCOC(CNC(c1ccccc1)C(N)C(C)O)OCC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
HIF1A Q16665 1/20 0.37
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ABCB1 P08183 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AOC3 Q16853 6/20 0.35
POLB P06746 1/20 0.34
APAF1 O14727 1/20 0.34

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
SCHEMBL6894924 0.82 KDM4E (0.43) ANPEPKDM4ELMNAADRA2AADRA2C
SCHEMBL6895263 0.82 KDM4E (0.43) ANPEPKDM4ELMNAADRA2AADRA2C
SCHEMBL289245 0.76 APAF1 (0.53) ANPEPKDM4ELMNAADRA2AALDH1A1
SCHEMBL289244 0.76 APAF1 (0.53) ANPEPKDM4ELMNAADRA2AALDH1A1
SCHEMBL6895745 0.75 LMNA (0.47) KDM4ELMNAADRA2AADRA2CHIF1A
SCHEMBL6895074 0.74 HPGD (0.44) ANPEPKDM4ELMNAADRA2AADRA2C
SCHEMBL6890899 0.74 AOC3 (0.36) KDM4ELMNAADRA2AADRA2CHIF1A
SCHEMBL6894568 0.74 CYP3A4 (0.44) ANPEPKDM4ELMNAADRA2AADRA2C
SCHEMBL6889436 0.72 SIGMAR1 (0.49) ANPEPLMNAADRA2AHIF1AALDH1A1
SCHEMBL6896045 0.72 ALDH1A1 (0.49) ANPEPKDM4ELMNAADRA2AADRA2C

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