SCHEMBL2184886

SCHEMBL2184886

CC(C)(C)OC(=O)[C@@]1(COc2cncc(-c3cccc(CCCN4C(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c5C4=O)c3)c2)CCN1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 7/20 0.31

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
SCHEMBL2185728 0.85 BACE1 (0.34) SLC5A1
SCHEMBL3358712 0.81 AKT1 (0.38) SLC5A1
SCHEMBL2184888 0.80 CHRNB1 (0.40)
SCHEMBL2307750 0.76 AKT1 (0.38)
SCHEMBL2184835 0.73 CHRNB2 (0.33)
SCHEMBL2185542 0.72 AKT1 (0.36) SLC5A1
SCHEMBL2186288 0.70 CYP4F2 (0.40) SLC5A1
SCHEMBL2300520 0.69 DGAT1 (0.37)
SCHEMBL2185911 0.69 DGAT1 (0.37)
SCHEMBL2185877 0.68 CFD (0.44)

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-2342192-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF Psychogenics Inc. (US) 2011-07-13 EP disclosed
WO-2010045212-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INCSTATUTS (US) 2010-04-22 WO disclosed