SCHEMBL20171904

SCHEMBL20171904

Cn1nnnc1Cn1cnc2c(N3CCCC3)nc(C(C)(C)C)nc21

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.76
CNR1 P21554 1/20 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
SCHEMBL17507436 0.87 CNR2 (1.00) CNR2CNR1
SCHEMBL16212153 0.85 CNR2 (1.00) CNR2CNR1
SCHEMBL16212002 0.85 CNR2 (1.00) CNR2CNR1
SCHEMBL16211747 0.85 CNR2 (1.00) CNR2CNR1
SCHEMBL14977800 0.81 CNR2 (0.59) CNR2CNR1
SCHEMBL16222602 0.77 CNR2 (0.63) CNR2CNR1
SCHEMBL20171927 0.77 CNR2 (0.73) CNR2
SCHEMBL20171914 0.77 CNR2 (0.76) CNR2CNR1
SCHEMBL20171920 0.77 CNR2 (0.74) CNR2CNR1
SCHEMBL16212004 0.75 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