SCHEMBL7209324

SCHEMBL7209324

COc1cccc(C(=O)C2CCN(C(=O)OC(=O)C3(c4cccc(OC)c4OC)CCNCC3)CC2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
HTR2A P28223 5/20 0.46
GRM2 Q14416 3/20 0.46
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
MGLL Q99685 1/20 0.39
HTR1A P08908 3/20 0.39
HTR2C P28335 3/20 0.39
HTR7 P34969 3/20 0.39
HTR2B P41595 3/20 0.39
ADRA2C P18825 2/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
HRH2 P25021 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
SLC6A4 P31645 2/20 0.39
HRH1 P35367 2/20 0.39
HTR5A P47898 2/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL7620925 0.79 HSD11B1 (0.44) HSD11B1HTR2AGRM2KMT2ALMNA
SCHEMBL7209323 0.79 HSD11B1 (0.47) HSD11B1HTR2AGRM2KMT2ALMNA
SCHEMBL4236994 0.75 HTR2A (0.55) HSD11B1HTR2AGRM2KMT2ALMNA
SCHEMBL4232496 0.74 HSD11B1 (0.64) HSD11B1HTR2AGRM2KMT2ALMNA
Hydrochloric Acid SCHEMBL4236997 0.74 HTR2A (0.54) HSD11B1HTR2AGRM2KMT2ALMNA
SCHEMBL4070767 0.74 HSD11B1 (0.58) HSD11B1HTR2AGRM2KMT2ALMNA
SCHEMBL4071874 0.73 SIGMAR1 (0.43) KMT2AHTR1ADRD2OPRM1MEN1
SCHEMBL13701275 0.69 HTR2A (0.71) HSD11B1HTR2AGRM2KMT2ALMNA
Trifluoroacetic Acid SCHEMBL22118447 0.69 HTR2A (0.51) HSD11B1HTR2AGRM2LMNAHTR1A
Trifluoroacetic Acid SCHEMBL29579487 0.69 HTR2A (0.51) HSD11B1HTR2AGRM2LMNAHTR1A

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-1289527-A2 USE OF (+)-ALPHA -(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL OR ITS PRODRUG IN THE TREATMENT OF SYMPTOMS OF DEMENTIA AND DOPAMINE INDUCED PSYCHOSIS Aventis Pharmaceuticals Inc. (US) 2003-03-12 EP disclosed
WO-2001089498-A2 USE OF (+)-α -(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL OR ITS PRODRUG IN THE TREATMENT OF SYMPTOMS OF DEMENTIA AND DOPAMINE INDUCED PSYCHOSIS AVENTIS PHARMA INC (US) 2001-11-29 WO disclosed