SCHEMBL20171914

SCHEMBL20171914

CC(C)(C)c1nc(N2CCCC2)c2ncn(CCC(F)(F)F)c2n1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.76
CNR1 P21554 1/20 0.52

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
SCHEMBL16211502 0.86 CNR2 (1.00) CNR2CNR1
SCHEMBL16211874 0.85 CNR2 (1.00) CNR2CNR1
SCHEMBL16211979 0.84 CNR2 (1.00) CNR2
SCHEMBL16211568 0.84 CNR2 (1.00) CNR2
SCHEMBL20171926 0.84 CNR2 (0.74) CNR2
SCHEMBL20171920 0.83 CNR2 (0.74) CNR2CNR1
SCHEMBL16211735 0.83 CNR2 (1.00) CNR2
SCHEMBL16212259 0.81 CNR2 (1.00) CNR2
SCHEMBL16211882 0.78 CNR2 (1.00) CNR2
SCHEMBL16211833 0.78 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 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