SCHEMBL5219409

SCHEMBL5219409

CC(C)C1(NC[C@@H](O)[C@H](Cc2ccccc2)N(C(=O)O)C(C)(C)C)CCC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ABCB1 P08183 1/20 0.33
BACE1 P56817 5/20 0.33
BCHE P06276 1/20 0.33
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSD P07339 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL5219421 1.00 OPRM1 (0.34) OPRM1OPRD1OPRK1HPGDNPC1
SCHEMBL5221296 0.96 OPRM1 (0.35) OPRM1OPRD1OPRK1HPGDNPC1
SCHEMBL5224893 0.85 OPRM1 (0.34) OPRM1OPRD1OPRK1ABCB1BACE1
SCHEMBL5224898 0.85 OPRM1 (0.34) OPRM1OPRD1OPRK1ABCB1BACE1
SCHEMBL5222750 0.85 MME (0.36) OPRM1OPRD1OPRK1ABCB1BACE1
SCHEMBL5222763 0.85 MME (0.36) OPRM1OPRD1OPRK1ABCB1BACE1
SCHEMBL5220125 0.83 PSEN1 (0.35) OPRM1OPRD1OPRK1HPGDNPC1
SCHEMBL5220129 0.83 PSEN1 (0.35) OPRM1OPRD1OPRK1HPGDNPC1
SCHEMBL5225992 0.83 OPRM1 (0.35) OPRM1OPRD1OPRK1ABCB1BACE1
SCHEMBL5225985 0.83 OPRM1 (0.35) OPRM1OPRD1OPRK1ABCB1BACE1

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