SCHEMBL5240453

SCHEMBL5240453

O=C(O)N[C@H]1[C@@H]2CN(c3ncnc4c3nc(-c3ccccc3F)n4-c3ccc(Cl)cc3)C[C@@H]21

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.61
CNR2 P34972 14/20 0.61

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
SCHEMBL5870775 0.89 CNR1 (0.67) CNR1CNR2
SCHEMBL5870669 0.86 CNR1 (0.59) CNR1CNR2
SCHEMBL5239405 0.81 CNR1 (0.78) CNR1CNR2
SCHEMBL5236352 0.78 CNR1 (0.81) CNR1CNR2
SCHEMBL15200797 0.78 CNR1 (0.87) CNR1CNR2
SCHEMBL14433904 0.76 CNR1 (0.71) CNR1CNR2
SCHEMBL5237152 0.76 CNR1 (0.56) CNR1CNR2
SCHEMBL20304767 0.75 CNR1 (1.00) CNR1CNR2
SCHEMBL5236403 0.75 CNR1 (0.68) CNR1CNR2
SCHEMBL20305017 0.74 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 disclosed