SCHEMBL8552976

SCHEMBL8552976

COc1ccc2[nH]cc(C3CCN(CCCc4c[nH]c5ccc(CO)cc45)CC3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.66
SLC6A4 P31645 5/20 0.57
HTR2A P28223 4/20 0.57
DRD2 P14416 2/20 0.57
HTR7 P34969 2/20 0.57
HTR6 P50406 2/20 0.57
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55

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
SCHEMBL8555253 0.97 HTR1A (0.62) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8554542 0.92 HTR1A (0.77) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8552991 0.90 HTR1A (0.72) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8558241 0.89 HTR1A (0.69) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8555240 0.89 SLC6A4 (0.55) HTR1ASLC6A4DRD2HTR7ADRA1D
SCHEMBL8554480 0.87 HTR1A (0.77) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8558005 0.87 HTR1A (0.77) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8557416 0.86 HTR1A (0.65) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8553229 0.86 HTR1A (0.64) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8871778 0.86 HTR1A (0.59) HTR1AHTR2AADRA2AADRA2BADRA2C

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