SCHEMBL5218656

SCHEMBL5218656

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)[C@H](O)CNC12CCC(CC1)CC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
TRPA1 O75762 2/20 0.34
ABCB1 P08183 1/20 0.33
BACE1 P56817 8/20 0.33
BCHE P06276 1/20 0.33
CTSD P07339 3/20 0.33
BACE2 Q9Y5Z0 3/20 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
SCHEMBL5218666 1.00 OPRM1 (0.34) OPRM1OPRD1OPRK1TRPA1ABCB1
SCHEMBL5225796 0.94 DPP8 (0.34) OPRM1OPRD1OPRK1TRPA1ABCB1
SCHEMBL5225805 0.94 DPP8 (0.34) OPRM1OPRD1OPRK1TRPA1ABCB1
SCHEMBL5225802 0.94 DPP8 (0.34) OPRM1OPRD1OPRK1TRPA1ABCB1
SCHEMBL5222991 0.87 EPHX2 (0.41)
SCHEMBL5225985 0.83 OPRM1 (0.35) OPRM1OPRD1OPRK1TRPA1ABCB1
SCHEMBL5221296 0.83 OPRM1 (0.35) OPRM1OPRD1OPRK1TRPA1ABCB1
SCHEMBL5222763 0.83 MME (0.36) OPRM1OPRD1OPRK1TRPA1ABCB1
SCHEMBL5225992 0.83 OPRM1 (0.35) OPRM1OPRD1OPRK1TRPA1ABCB1
SCHEMBL5222750 0.83 MME (0.36) OPRM1OPRD1OPRK1TRPA1ABCB1

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