SCHEMBL5223162

SCHEMBL5223162

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)[C@H](O)CNC1C2CC3CC(C2)CC1C3

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.40
HSD11B1 P28845 4/20 0.36
BCHE P06276 1/20 0.35
BACE1 P56817 3/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL5222991 0.81 EPHX2 (0.41) EPHX2
SCHEMBL5223476 0.80 BACE1 (0.44) BACE1
SCHEMBL5223435 0.80 BACE1 (0.42) BACE1
SCHEMBL4693111 0.80 BACE1 (0.41) BACE1
SCHEMBL4693114 0.80 BACE1 (0.41) BACE1
SCHEMBL5223477 0.80 BACE1 (0.44) BACE1
SCHEMBL5223473 0.79 OPRD1 (0.41) BCHEBACE1OPRM1OPRD1OPRK1
SCHEMBL5223463 0.79 OPRD1 (0.41) BCHEBACE1OPRM1OPRD1OPRK1
SCHEMBL5219187 0.79 SIGMAR1 (0.43) BCHEBACE1OPRM1OPRD1OPRK1
SCHEMBL5219195 0.79 SIGMAR1 (0.43) BCHEBACE1OPRM1OPRD1OPRK1

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