SCHEMBL7209323

SCHEMBL7209323

COc1cccc(C(=O)C2CCN(C(=O)O)CC2)c1OC.COc1cccc(C2(C=O)CCNCC2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.47
HTR2A P28223 5/20 0.45
GRM2 Q14416 3/20 0.45
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR1A P08908 3/20 0.38
HTR2C P28335 3/20 0.38
HTR7 P34969 3/20 0.38
HTR2B P41595 3/20 0.38
ADRA2C P18825 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
HRH2 P25021 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
SLC6A4 P31645 2/20 0.38
HRH1 P35367 2/20 0.38
HTR5A P47898 2/20 0.38
MGLL Q99685 1/20 0.38
ADRA2A P08913 1/20 0.38

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 0.89 HSD11B1 (0.44) HSD11B1HTR2AGRM2LMNAKMT2A
SCHEMBL4232496 0.82 HSD11B1 (0.64) HSD11B1HTR2AGRM2LMNAKMT2A
SCHEMBL7209324 0.79 HSD11B1 (0.48) HSD11B1HTR2AGRM2LMNAKMT2A
SCHEMBL4076354 0.79 SIGMAR1 (0.49) HTR1AHTR2CDRD2ALDH1A1
Trifluoroacetic Acid SCHEMBL4071872 0.77 SIGMAR1 (0.43) KMT2ADRD2GAAALDH1A1MEN1
SCHEMBL4236994 0.74 HTR2A (0.55) HSD11B1HTR2AGRM2LMNAKMT2A
Hydrochloric Acid SCHEMBL4236997 0.73 HTR2A (0.54) HSD11B1HTR2AGRM2LMNAKMT2A
SCHEMBL14637537 0.72 KMT2A (0.62) HSD11B1LMNAKMT2AMGLLGAA
SCHEMBL7097807 0.71 HSD11B1 (0.57) HSD11B1HTR2AGRM2LMNAKMT2A
Trifluoroacetic Acid SCHEMBL22118447 0.70 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