SCHEMBL7429388

SCHEMBL7429388

Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc4c(c3O2)CC(=O)N4)cc1.O=C1Cc2c(ccc3c2OC(CNCCc2cccnc2)CO3)N1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A4 P31645 6/20 0.36
HTR2A P28223 4/20 0.35
HTR2B P41595 4/20 0.35
HTR1A P08908 2/20 0.34
HTR2C P28335 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
TBXAS1 P24557 2/20 0.33
PKM P14618 2/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 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
SCHEMBL5957159 0.87 DRD2 (0.46) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL3035136 0.83 DRD2 (0.37) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL3039847 0.83 DRD2 (0.37) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL5954233 0.83 DRD2 (0.37) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL7397490 0.82 HTR1A (0.42) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL7397493 0.82 HTR1A (0.42) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL7395323 0.81 DRD2 (0.45) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL7395078 0.81 DRD2 (0.41) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL7397482 0.81 DRD2 (0.44) DRD2DRD4DRD3SLC6A4HTR2A
SCHEMBL7395079 0.81 DRD2 (0.41) DRD2DRD4DRD3SLC6A4HTR2A

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