SCHEMBL4730544

SCHEMBL4730544

CC1(C)Oc2cc(OC(F)F)ccc2-c2c1c(C(=O)O)nn2-c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.42
▸ CNR1 P21554 7/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MARS1 P56192 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
SCHEMBL4729440 0.90 CNR1 (0.43) CNR2CNR1LMNAMARS1
SCHEMBL4731233 0.89 LMNA (0.44) CNR2CNR1LMNAMARS1
SCHEMBL4730638 0.86 MARS1 (0.43) CNR2CNR1LMNAMARS1
SCHEMBL4730288 0.86 CNR2 (0.42) CNR2CNR1LMNAMARS1
Hydrochloric Acid SCHEMBL4783733 0.85 CNR1 (0.56) CNR2CNR1
SCHEMBL4730418 0.85 CNR2 (0.43) CNR2CNR1LMNAMARS1
Hydrochloric Acid SCHEMBL4731037 0.83 CNR2 (0.37) CNR2CNR1LMNA
SCHEMBL4784498 0.83 MARS1 (0.49) CNR2CNR1MARS1
SCHEMBL4728972 0.83 MARS1 (0.48) CNR2CNR1MARS1
SCHEMBL4729313 0.83 CNR1 (0.44) CNR2CNR1MARS1

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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