SCHEMBL4622618

SCHEMBL4622618

O=C(NCCc1ccccc1)c1nn(-c2ccc(F)cc2F)c2c1C1CC[C@@H]2C1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.65
CNR1 P21554 12/20 0.65
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1432295 0.88 CNR2 (0.71) CNR2CNR1
SCHEMBL1432140 0.86 CNR2 (0.61) CNR2CNR1
SCHEMBL4933143 0.84 CNR2 (0.77) CNR2CNR1
SCHEMBL1432094 0.84 CNR2 (0.69) CNR2CNR1
SCHEMBL1433135 0.84 CNR2 (0.71) CNR2CNR1
SCHEMBL4622951 0.84 CNR1 (0.54) CNR2CNR1SMN1; SMN2
SCHEMBL1431717 0.84 CNR1 (0.54) CNR2CNR1SMN1; SMN2
SCHEMBL4622687 0.83 CNR2 (0.65) CNR2CNR1
SCHEMBL4930767 0.83 CNR2 (0.72) CNR2CNR1
SCHEMBL1432362 0.83 CNR2 (0.74) CNR2CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902034-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION Glenmark Pharmaceuticals S.A. (CH) 2008-03-26 EP disclosed
WO-2006129178-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2006-12-07 WO disclosed