SCHEMBL7397490

SCHEMBL7397490

Cc1ccc(S(=O)(=O)OCC2COc3ccc4c(c3O2)CC(=O)N4)cc1.O=C1Cc2c(ccc3c2OC(CNCCc2c[nH]c4ccccc24)CO3)N1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.42
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
DRD2 P14416 5/20 0.36
SLC6A4 P31645 4/20 0.36
TP53 P04637 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
NR3C1 P04150 1/20 0.35

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
SCHEMBL7397493 1.00 HTR1A (0.42) HTR1AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL5957117 0.88 HTR1A (0.52) HTR1AMAPTLMNAMEN1KMT2A
SCHEMBL5957060 0.83 MAPT (0.51) HTR1AMAPTDRD2SLC6A4DRD4
SCHEMBL3035136 0.82 DRD2 (0.37) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL3039847 0.82 DRD2 (0.37) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL7429388 0.82 DRD2 (0.38) HTR1AMAPTLMNAALDH1A1DRD2
SCHEMBL5954233 0.82 DRD2 (0.37) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL7395079 0.80 DRD2 (0.41) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL7395078 0.80 DRD2 (0.41) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL7395323 0.79 DRD2 (0.45) MAPTLMNAMEN1KMT2ADRD2

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