SCHEMBL4622951

SCHEMBL4622951

O=C(NCCc1ccccc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1C1CC[C@@H]2C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.54
CNR2 P34972 6/20 0.47
ABCB1 P08183 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1431717 1.00 CNR1 (0.54) CNR1CNR2ABCB1SMN1; SMN2
SCHEMBL1431855 0.91 CNR1 (0.61) CNR1CNR2
SCHEMBL1432062 0.91 CNR1 (0.53) CNR1CNR2
SCHEMBL1432001 0.85 CNR1 (0.60) CNR1CNR2
SCHEMBL1431822 0.84 CNR1 (0.47) CNR1CNR2
SCHEMBL1432098 0.84 CNR1 (0.51) CNR1CNR2
SCHEMBL4622618 0.84 CNR2 (0.65) CNR1CNR2SMN1; SMN2
SCHEMBL1432053 0.83 CNR1 (0.50) CNR1CNR2
SCHEMBL1432072 0.82 CNR1 (0.47) CNR1CNR2
SCHEMBL1432059 0.82 CNR1 (0.49) 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 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