SCHEMBL4731309

SCHEMBL4731309

O=C(O)c1nn(-c2ccc(Cl)cc2Cl)c2c1COc1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.45
▸ CNR1 P21554 5/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL4729577 0.84 CNR1 (0.45) CNR2CNR1LMNA
SCHEMBL2492413 0.82 CNR2 (0.52) CNR2CNR1
SCHEMBL5113533 0.82 CNR2 (0.63) CNR2CNR1
SCHEMBL9832871 0.81 PTGS1 (0.49) NR1H4
Hydrochloric Acid SCHEMBL4783886 0.80 CNR1 (0.61) CNR2CNR1
SCHEMBL4783557 0.78 CYP1A2 (0.47) CNR1LMNANR1H4
SCHEMBL5110999 0.77 CNR2 (0.69) CNR2CNR1
SCHEMBL2187287 0.75 CNR2 (0.74) CNR2CNR1
SCHEMBL2908974 0.75 CNR2 (0.62) CNR2CNR1
Hydrochloric Acid SCHEMBL4730227 0.75 CNR1 (0.44) 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
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 — — WO claimed
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 — — WO disclosed
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