SCHEMBL8553977

SCHEMBL8553977

COc1ccc2[nH]cc(CCCCN3CC=C(c4c[nH]c5cc6c(cc45)OCO6)CC3)c2c1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.70
DRD2 P14416 6/20 0.58
SLC6A4 P31645 1/20 0.56
HTR2A P28223 2/20 0.56
DRD1 P21728 1/20 0.54
DRD3 P35462 1/20 0.54

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
SCHEMBL8553783 0.92 HTR1A (0.81) HTR1ADRD2SLC6A4HTR2A
SCHEMBL8871283 0.88 HTR1A (0.69) HTR1ADRD2DRD3
SCHEMBL8558887 0.87 HTR1A (0.73) HTR1ADRD2SLC6A4HTR2ADRD3
SCHEMBL8554084 0.87 HTR1A (0.78) HTR1ADRD2HTR2ADRD1DRD3
SCHEMBL8555961 0.84 HTR1A (0.68) HTR1ADRD2SLC6A4
SCHEMBL8871306 0.81 HTR1A (0.77) HTR1ADRD2DRD3
SCHEMBL11313868 0.79 HTR1A (0.75) HTR1ADRD2SLC6A4HTR2ADRD1
SCHEMBL10575993 0.79 HTR1A (0.76) HTR1ADRD2HTR2ADRD3
SCHEMBL8554055 0.79 HTR1A (0.61) HTR1ADRD2SLC6A4HTR2A
SCHEMBL8554164 0.78 DRD2 (0.69) HTR1ADRD2SLC6A4HTR2ADRD3

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-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed