SCHEMBL5225802

SCHEMBL5225802

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)[C@H](O)CN[C@]12CC[C@H](CC1)C2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
TRPA1 O75762 2/20 0.33
EPHX2 P34913 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
ABCB1 P08183 1/20 0.32
BACE1 P56817 2/20 0.32
BCHE P06276 1/20 0.32
LMNA P02545 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
SCHEMBL5225796 1.00 DPP8 (0.34) DPP8DPP9OPRM1OPRD1OPRK1
SCHEMBL5225805 1.00 DPP8 (0.34) DPP8DPP9OPRM1OPRD1OPRK1
SCHEMBL5218666 0.94 OPRM1 (0.34) OPRM1OPRD1OPRK1TRPA1ABCB1
SCHEMBL5218656 0.94 OPRM1 (0.34) OPRM1OPRD1OPRK1TRPA1ABCB1
SCHEMBL5222991 0.90 EPHX2 (0.41) DPP8DPP9EPHX2MEN1ALDH1A1
SCHEMBL5225985 0.81 OPRM1 (0.35) OPRM1OPRD1OPRK1TRPA1ABCB1
SCHEMBL5225992 0.81 OPRM1 (0.35) OPRM1OPRD1OPRK1TRPA1ABCB1
SCHEMBL5222763 0.81 MME (0.36) OPRM1OPRD1OPRK1TRPA1KMT2A
SCHEMBL5221296 0.81 OPRM1 (0.35) OPRM1OPRD1OPRK1TRPA1MEN1
SCHEMBL5222750 0.81 MME (0.36) OPRM1OPRD1OPRK1TRPA1KMT2A

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