SCHEMBL5223472

SCHEMBL5223472

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)[C@@H](O)CNCCc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.41
TAAR1 Q96RJ0 3/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
CNR1 P21554 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5223464 1.00 ADRB3 (0.41) ADRB3TAAR1PLAAT3PLAAT5PLAAT2
SCHEMBL5219646 0.93 ADRB3 (0.43) ADRB3MEN1KMT2AOPRM1OPRD1
SCHEMBL5219638 0.93 ADRB3 (0.43) ADRB3MEN1KMT2AOPRM1OPRD1
SCHEMBL5224503 0.90 ADRB3 (0.42) ADRB3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5224496 0.90 ADRB3 (0.42) ADRB3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5219515 0.90 SLC2A1 (0.46) ADRB3TAAR1PLAAT3PLAAT5PLAAT2
SCHEMBL5219507 0.90 SLC2A1 (0.46) ADRB3TAAR1PLAAT3PLAAT5PLAAT2
SCHEMBL5217754 0.89 PLAAT3 (0.43) ADRB3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5217761 0.89 PLAAT3 (0.43) ADRB3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5221702 0.88 GAA (0.54) ADRB3TAAR1PLAAT3PLAAT5PLAAT2

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