SCHEMBL7046436

SCHEMBL7046436

CN(C(=O)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)[nH]1)C1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.52
PYGL P06737 1/20 0.42
TGFBR1 P36897 1/20 0.39
CNR2 P34972 3/20 0.37
PIK3CD O00329 1/20 0.37

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
SCHEMBL7044215 0.91 CNR1 (0.61) CNR1
SCHEMBL7044597 0.90 CNR1 (0.63) CNR1
SCHEMBL6552429 0.90 CNR1 (0.63) CNR1
SCHEMBL7041060 0.89 CNR1 (0.52) CNR1CNR2
SCHEMBL7045588 0.89 CNR1 (0.52) CNR1PYGLCNR2
SCHEMBL7046409 0.87 CNR1 (0.50) CNR1CNR2
SCHEMBL7041795 0.85 CNR1 (0.50) CNR1CNR2
SCHEMBL7044568 0.83 CNR1 (0.48) CNR1CNR2
SCHEMBL7044204 0.83 CNR1 (0.58) CNR1PYGL
SCHEMBL7043525 0.83 CNR1 (0.48) 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
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO claimed