SCHEMBL20171881

SCHEMBL20171881

CC(C)(C)c1nc(N2CCS(=O)(=O)CC2)c2ncn(Cc3ncccc3Cl)c2n1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.76
CNR1 P21554 2/20 0.76

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
SCHEMBL20171868 0.89 CNR2 (0.78) CNR2CNR1
SCHEMBL16222656 0.86 CNR2 (1.00) CNR2CNR1
SCHEMBL16222669 0.84 CNR2 (0.69) CNR2CNR1
SCHEMBL16211797 0.83 CNR2 (1.00) CNR2CNR1
SCHEMBL16211567 0.83 CNR2 (1.00) CNR2CNR1
SCHEMBL16211943 0.82 CNR2 (1.00) CNR2CNR1
SCHEMBL16213383 0.82 CNR2 (1.00) CNR2CNR1
SCHEMBL16212018 0.82 CNR2 (1.00) CNR2
SCHEMBL16212192 0.82 CNR2 (1.00) CNR2
SCHEMBL16212110 0.82 CNR2 (1.00) CNR2CNR1

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-2991987-B1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2018-05-23 EP disclosed