SCHEMBL5239434

SCHEMBL5239434

CCCNC1(OC(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.72
CNR2 P34972 18/20 0.72

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
SCHEMBL5238605 0.94 CNR1 (0.79) CNR1CNR2
SCHEMBL5240695 0.93 CNR1 (0.62) CNR1CNR2
SCHEMBL5237430 0.93 CNR1 (0.61) CNR1CNR2
SCHEMBL5235768 0.89 CNR1 (0.88) CNR1CNR2
SCHEMBL5240735 0.88 CNR1 (0.68) CNR1CNR2
SCHEMBL5236729 0.86 CNR1 (0.71) CNR1CNR2
SCHEMBL5239217 0.85 CNR1 (0.73) CNR1CNR2
Otenabant SCHEMBL1622757 0.84 CNR1 (1.00) CNR1CNR2
Otenabant SCHEMBL3932007 0.83 CNR1 (0.98) CNR1CNR2
SCHEMBL15200877 0.83 CNR1 (1.00) CNR1CNR2

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-1558615-B1 PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS PFIZER PROD INC (US) 2007-08-29 EP claimed