SCHEMBL5222219

SCHEMBL5222219

Cn1cc(CNC[C@H](O)[C@H](Cc2ccccc2)N(C(=O)O)C(C)(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
BACE1 P56817 8/20 0.39
BCHE P06276 4/20 0.39
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
OPRK1 P41145 2/20 0.37
OPRD1 P41143 1/20 0.37
SLC6A11 P48066 1/20 0.37
CTSD P07339 2/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MME P08473 1/20 0.35

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
SCHEMBL5222213 1.00 OPRM1 (0.47) OPRM1BACE1BCHEATMMAPK1
SCHEMBL5223199 0.88 LMNA (0.46) OPRM1BACE1BCHEATMSLC6A11
SCHEMBL5223191 0.88 LMNA (0.46) OPRM1BACE1BCHEATMSLC6A11
SCHEMBL5219187 0.79 SIGMAR1 (0.43) OPRM1BACE1BCHEOPRK1OPRD1
SCHEMBL5219195 0.79 SIGMAR1 (0.43) OPRM1BACE1BCHEOPRK1OPRD1
SCHEMBL609658 0.78 ANPEP (0.42) OPRM1BACE1BCHEL3MBTL1OPRK1
SCHEMBL609656 0.78 ANPEP (0.42) OPRM1BACE1BCHEL3MBTL1OPRK1
SCHEMBL5219638 0.77 ADRB3 (0.43) OPRM1BACE1BCHEL3MBTL1OPRK1
SCHEMBL5218712 0.77 OPRM1 (0.47) OPRM1BACE1BCHEMAPK1L3MBTL1
SCHEMBL5219646 0.77 ADRB3 (0.43) OPRM1BACE1BCHEL3MBTL1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed