SCHEMBL5220129

SCHEMBL5220129

CC(C)CC1(NC[C@H](O)[C@H](Cc2ccccc2)N(C(=O)O)C(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HPGD P15428 2/20 0.33
TRPA1 O75762 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ABCB1 P08183 1/20 0.33
BCHE P06276 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL5220125 1.00 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5223634 0.90 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5223629 0.90 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5225985 0.89 OPRM1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5225992 0.89 OPRM1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5217833 0.88 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5217827 0.88 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5224898 0.85 OPRM1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5224893 0.85 OPRM1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5221296 0.85 OPRM1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A

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