SCHEMBL20610992

SCHEMBL20610992

CC(=N)/C(CNc1nc(OCC(C)(C)C)nc(N2CCC(F)(F)C2)c1N)=N\O

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.47

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
SCHEMBL20611260 0.85 CNR2 (0.44) CNR2
SCHEMBL20998151 0.81 HRH4 (0.39) CNR2
SCHEMBL20998150 0.79 CNR2 (0.47) CNR2
SCHEMBL20611081 0.79 CNR2 (0.47) CNR2
SCHEMBL20611053 0.76 CNR2 (0.61) CNR2
SCHEMBL20611078 0.75 CNR2 (0.49) CNR2
SCHEMBL20611315 0.75 CNR2 (0.61) CNR2
SCHEMBL20611157 0.74 CNR2 (0.63) CNR2
SCHEMBL20610986 0.72 CNR2 (0.65) CNR2
SCHEMBL23544261 0.72 CNR2 (0.56) 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 3 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
EP-3041843-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AS CB2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2019-01-02 EP disclosed