SCHEMBL16211552

SCHEMBL16211552

CC(C)(C)c1nc(N2CCC(O)C2)c2ncn(CC3(CC4CC4)N=NN=N3)c2n1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.68

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
SCHEMBL16211942 0.89 CNR2 (0.71) CNR2
SCHEMBL16212006 0.87 CNR2 (0.73) CNR2
SCHEMBL20162297 0.87 CNR2 (0.73) CNR2
SCHEMBL20162298 0.86 CNR2 (0.71) CNR2
SCHEMBL16212009 0.86 CNR2 (0.71) CNR2
SCHEMBL20162318 0.86 CNR2 (0.71) CNR2
SCHEMBL16211909 0.86 CNR2 (0.71) CNR2
SCHEMBL16211912 0.85 CNR2 (0.70) CNR2
SCHEMBL16211484 0.81 CNR2 (1.00) CNR2
SCHEMBL16211521 0.81 CNR2 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991987-A1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2016-03-09 EP claimed
WO-2014177490-A1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO claimed
EP-2991987-A1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2016-03-09 EP disclosed
WO-2014177490-A1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed