SCHEMBL5219638

SCHEMBL5219638

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRM1 P35372 3/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
BCHE P06276 1/20 0.41
ADRB2 P07550 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL5219646 1.00 ADRB3 (0.43) ADRB3MEN1HTTKMT2AL3MBTL1
SCHEMBL5224496 0.94 ADRB3 (0.42) ADRB3MEN1HTTKMT2AL3MBTL1
SCHEMBL5224503 0.94 ADRB3 (0.42) ADRB3MEN1HTTKMT2AL3MBTL1
SCHEMBL5223464 0.93 ADRB3 (0.41) ADRB3MEN1KMT2AOPRM1OPRD1
SCHEMBL5223472 0.93 ADRB3 (0.41) ADRB3MEN1KMT2AOPRM1OPRD1
SCHEMBL5221702 0.92 GAA (0.54) ADRB3MEN1KMT2AANPEPERAP2
SCHEMBL5221710 0.92 GAA (0.54) ADRB3MEN1KMT2AANPEPERAP2
SCHEMBL5219515 0.89 SLC2A1 (0.46) ADRB3MEN1KMT2ASMN1; SMN2
SCHEMBL5219507 0.89 SLC2A1 (0.46) ADRB3MEN1KMT2ASMN1; SMN2
SCHEMBL5218717 0.89 BCHE (0.42) MEN1HTTKMT2AL3MBTL1OPRM1

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