SCHEMBL2549969

SCHEMBL2549969

C[C@H]1COC(C(C)(C)C2=NC(C(C)(C)C)CO2)=N1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.32
ADRA2B P18089 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
SCHEMBL1130554 0.90 CNR2 (0.31)
SCHEMBL3742324 0.90 CNR2 (0.31)
SCHEMBL31069784 0.90 CNR2 (0.31)
SCHEMBL247952 0.90 CNR2 (0.31)
SCHEMBL918052 0.90 CNR2 (0.31)
Bromide SCHEMBL7105757 0.84 ADRA2A (0.35) ADRA2AADRA2B
SCHEMBL10227022 0.78 CNR2 (0.31)
SCHEMBL25860783 0.77
SCHEMBL17087997 0.76 ADRA2A (0.37) ADRA2AADRA2B
SCHEMBL19051429 0.76 ADRA2A (0.37) ADRA2AADRA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555625-A1 PROCESS FOR PREPARING BENZOXABOROLES GlaxoSmithKline LLC (US) 2013-02-13 EP disclosed
WO-2011127143-A1 PROCESS FOR PREPARING BENZOXABOROLES GLAXOSMITHKLINE LLC (US) 2011-10-13 WO disclosed