SCHEMBL20998151

SCHEMBL20998151

CNC1CCN(c2nc(OCC(C)(C)C)nc(NC/C(=N/O)C(C)=N)c2N)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 17/20 0.39
CNR2 P34972 3/20 0.37
HRH3 Q9Y5N1 4/20 0.35
KCNH2 Q12809 2/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 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
SCHEMBL20611081 0.91 CNR2 (0.47) CNR2
SCHEMBL20998150 0.91 CNR2 (0.47) CNR2
SCHEMBL20610992 0.81 CNR2 (0.47) CNR2
SCHEMBL23544253 0.74 CNR2 (0.51) CNR2
SCHEMBL20611271 0.70 CNR2 (0.57) CNR2
SCHEMBL20611153 0.68 CNR2 (0.49) CNR2
SCHEMBL20611000 0.68 CNR2 (0.68) CNR2
SCHEMBL23544240 0.67 CNR2 (0.66) CNR2
SCHEMBL20611260 0.67 CNR2 (0.44) CNR2
SCHEMBL23544260 0.61 CNR2 (0.63) CNR2

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-3943497-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AS CB2 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2022-01-26 EP disclosed
EP-3483163-A2 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AS CB2 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2019-05-15 EP disclosed