SCHEMBL8557556

SCHEMBL8557556

COC(=O)Oc1ccc2[nH]cc(C3CCN(CCCc4c[nH]c5ccc(OC)cc45)CC3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.64
SLC6A4 P31645 5/20 0.58
DRD2 P14416 4/20 0.58
HTR7 P34969 4/20 0.58
HTR6 P50406 4/20 0.58
HTR2A P28223 3/20 0.58
CCR2 P41597 1/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 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
SCHEMBL8557229 0.96 HTR1A (0.58) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL8557416 0.92 HTR1A (0.65) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL8556808 0.92 HTR1A (0.52) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL8554542 0.91 HTR1A (0.77) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL8559491 0.90 HTR1A (0.61) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL8555410 0.89 HTR1A (0.52) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL8554898 0.89 HTR1A (0.63) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL8871079 0.89 HTR1A (0.63) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL8557276 0.88 HTR1A (0.59) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL8552991 0.88 HTR1A (0.72) HTR1ASLC6A4DRD2HTR7HTR6

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