SCHEMBL5804489

SCHEMBL5804489

C[C@H](NC(=O)N1CC(OC(c2ccccc2)c2ccc(Cl)cc2C(F)(F)F)C1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.47
CNR1 P21554 3/20 0.46
FAAH O00519 7/20 0.41
CNR2 P34972 2/20 0.41
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
RBP4 P02753 2/20 0.39
CACNA1H O95180 2/20 0.39
CMA1 P23946 1/20 0.39

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
SCHEMBL4080236 0.91 CNR1 (0.55) GRIN2BCNR1FAAHCNR2
SCHEMBL5800452 0.90 DPP4 (0.41) GRIN2BCNR1RBP4CACNA1H
SCHEMBL5780334 0.89 CNR1 (0.41) CNR1FAAHCNR2
SCHEMBL5800214 0.85 FAAH (0.40) CNR1FAAHCNR2RBP4
SCHEMBL4075822 0.84 CNR1 (0.44) GRIN2BCNR1FAAHRBP4
SCHEMBL4079038 0.83 GRIN2B (0.62) GRIN2BCNR1FAAHCNR2CACNA2D1
SCHEMBL4075719 0.83 GRIN2B (0.62) GRIN2BCNR1FAAHCNR2CACNA2D1
SCHEMBL4088616 0.82 CNR1 (0.62) CNR1FAAHCNR2
SCHEMBL29574408 0.82 CNR1 (0.62) CNR1FAAHCNR2
SCHEMBL4075585 0.82 GRIN2B (0.56) GRIN2BCNR1FAAHCNR2

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-1620395-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-02-01 EP disclosed
WO-2004096763-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-11-11 WO disclosed