SCHEMBL8558241

SCHEMBL8558241

COc1ccc2[nH]cc(CCCN3CCC(c4c[nH]c5ccc(O)cc45)CC3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.69
SLC6A4 P31645 3/20 0.59
HTR2A P28223 3/20 0.59
DRD2 P14416 1/20 0.59
HTR7 P34969 1/20 0.59
HTR6 P50406 1/20 0.59
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
THPO P40225 1/20 0.57
ADRA2A P08913 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57

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
SCHEMBL8553229 0.97 HTR1A (0.64) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8554542 0.94 HTR1A (0.77) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8556284 0.92 HTR1A (0.57) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8552991 0.91 HTR1A (0.72) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8554847 0.91 CYP1A2 (0.65) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8552976 0.89 HTR1A (0.66) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8554480 0.89 HTR1A (0.77) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8558005 0.89 HTR1A (0.77) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8557416 0.88 HTR1A (0.65) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8559641 0.88 CYP1A2 (0.63) HTR1ASLC6A4HTR2ADRD2HTR7

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