SCHEMBL20171911

SCHEMBL20171911

Cc1nonc1Cn1cnc2c(N3CCCC3)nc(NC(C)(C)C)nc21

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.75

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
SCHEMBL16211669 0.86 CNR2 (1.00) CNR2
SCHEMBL16211845 0.86 CNR2 (1.00) CNR2
SCHEMBL16211879 0.85 CNR2 (0.85) CNR2
SCHEMBL16211881 0.85 CNR2 (1.00) CNR2
SCHEMBL17507438 0.82 CNR2 (0.76) CNR2
SCHEMBL17507437 0.81 CNR2 (0.77) CNR2
SCHEMBL16212105 0.81 CNR2 (1.00) CNR2
SCHEMBL16211866 0.80 CNR2 (1.00) CNR2
SCHEMBL20171874 0.78 CNR2 (0.76) CNR2
SCHEMBL16211487 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