SCHEMBL4729577

SCHEMBL4729577

COc1ccc2c(c1)OCc1c(C(=O)O)nn(-c3ccc(Cl)cc3Cl)c1-2

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CNR2 P34972 3/20 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
Hydrochloric Acid SCHEMBL4730227 0.91 CNR1 (0.44) CNR1CNR2
SCHEMBL4726269 0.88 GABRA2 (0.47) CNR1CNR2
Hydrochloric Acid SCHEMBL4726837 0.85 CNR1 (0.63) CNR1CNR2
SCHEMBL4731309 0.84 CNR2 (0.45) CNR1LMNACNR2
SCHEMBL2492413 0.81 CNR2 (0.52) CNR1CNR2
SCHEMBL4729440 0.80 CNR1 (0.43) CNR1LMNACNR2
SCHEMBL4783557 0.78 CYP1A2 (0.47) CNR1LMNA
SCHEMBL16709823 0.75 NR1H4 (0.55) —
SCHEMBL5110999 0.74 CNR2 (0.69) CNR1CNR2
SCHEMBL2872140 0.74 CNR2 (0.64) 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-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 — — WO claimed
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