SCHEMBL2321394

SCHEMBL2321394

C[C@H]1CN(CCC2(O)CCC(NC(=O)Oc3cc4c(OC[C@@H]5COc6ccccc65)cccc4[nH]3)CC2)CC[C@@H]1O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
DRD3 P35462 2/20 0.31
SLC18A2 Q05940 1/20 0.30

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
SCHEMBL2317120 0.93 MCHR1 (0.34) DRD2DRD3
SCHEMBL12433051 0.90 DRD2 (0.34) PTGIRDRD2HTR2ADRD3
SCHEMBL2315477 0.90 DRD2 (0.34) PTGIRDRD2HTR2ADRD3
SCHEMBL2321353 0.88 GUCY1B2 (0.31)
SCHEMBL2314265 0.86 GRM4 (0.33)
SCHEMBL2317618 0.84 DRD2 (0.35) DRD2DRD3
SCHEMBL13519613 0.84 DRD2 (0.35) DRD2DRD3
SCHEMBL2316451 0.84 SRD5A2 (0.30)
SCHEMBL2313919 0.83 SIGMAR1 (0.33) DRD2DRD3
SCHEMBL2314368 0.82 THRB (0.32)

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
EP-2125782-B1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2011-08-03 EP claimed