SCHEMBL5217754

SCHEMBL5217754

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
SIGMAR1 Q99720 3/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5217761 1.00 PLAAT3 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4SIGMAR1
SCHEMBL5219515 0.89 SLC2A1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4ADRB1
SCHEMBL5219507 0.89 SLC2A1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4ADRB1
SCHEMBL5223472 0.89 ADRB3 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4ADRB1
SCHEMBL5223464 0.89 ADRB3 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4ADRB1
SCHEMBL5219638 0.88 ADRB3 (0.43) ADRB3MEN1KMT2A
SCHEMBL5219646 0.88 ADRB3 (0.43) ADRB3MEN1KMT2A
SCHEMBL5224496 0.85 ADRB3 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4ADRB1
SCHEMBL5224503 0.85 ADRB3 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4ADRB1
SCHEMBL5223626 0.84 MEN1 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4SIGMAR1

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