SCHEMBL7397482

SCHEMBL7397482

COc1ccc(CNCC2COc3ccc4c(c3O2)CC(=O)N4)cc1.Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc4c(c3O2)CC(=O)N4)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 5/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A4 P31645 4/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
THRB P10828 2/20 0.33

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
SCHEMBL7395323 0.92 DRD2 (0.45) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL6848171 0.91 DRD2 (0.42) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL6848174 0.91 DRD2 (0.42) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL5957057 0.88 MEN1 (0.54) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL3035136 0.86 DRD2 (0.37) DRD2DRD4DRD3KMT2ALMNA
SCHEMBL3039847 0.86 DRD2 (0.37) DRD2DRD4DRD3KMT2ALMNA
SCHEMBL5954233 0.86 DRD2 (0.37) DRD2DRD4DRD3KMT2ALMNA
SCHEMBL5957139 0.85 DRD2 (0.55) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL7395078 0.85 DRD2 (0.41) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL7395079 0.85 DRD2 (0.41) DRD2DRD4DRD3KMT2AMEN1

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-0771800-A2 Dioxino derivatives and their use as dopamine agonists AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 EP disclosed