SCHEMBL20171923

SCHEMBL20171923

CSc1ccccc1Cn1cnc2c(N3CCCC3)nc(C(C)(C)C)nc21

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.57
CNR1 P21554 3/20 0.56

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
SCHEMBL20171882 0.85 CNR2 (0.76) CNR2CNR1
SCHEMBL20171918 0.84 CNR2 (0.57) CNR2CNR1
SCHEMBL20171921 0.84 CNR2 (0.79) CNR2CNR1
SCHEMBL20171901 0.82 CNR2 (0.75) CNR2CNR1
SCHEMBL20171927 0.78 CNR2 (0.73) CNR2
SCHEMBL20171890 0.76 CNR2 (0.77) CNR2
SCHEMBL4465561 0.76 PDE4A (0.64) CNR2CNR1
SCHEMBL20171868 0.76 CNR2 (0.78) CNR2CNR1
SCHEMBL16211646 0.74 CNR2 (0.52) CNR2CNR1
SCHEMBL16211879 0.73 CNR2 (0.85) 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