SCHEMBL8556034

SCHEMBL8556034

OCc1ccc2[nH]cc(CCCCN3CCC(c4c[nH]c5ccccc45)CC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.61
SLC6A4 P31645 2/20 0.60
HTR1A P08908 1/20 0.56
HTR7 P34969 1/20 0.56
KCNH2 Q12809 1/20 0.56

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
SCHEMBL8555240 0.94 SLC6A4 (0.55) ADRA1DSLC6A4HTR1AHTR7KCNH2
SCHEMBL8558927 0.88 ADRA1D (0.63) ADRA1DSLC6A4HTR1A
SCHEMBL8556391 0.88 ADRA1D (0.74) ADRA1DSLC6A4HTR1A
SCHEMBL8555253 0.86 HTR1A (0.62) ADRA1DSLC6A4HTR1AHTR7
SCHEMBL8872968 0.85 HTR1A (0.49) SLC6A4HTR1AHTR7KCNH2
SCHEMBL8554922 0.84 ADRA1D (0.73) ADRA1DSLC6A4HTR1A
SCHEMBL8556970 0.84 ADRA1D (0.60) ADRA1DSLC6A4HTR1A
SCHEMBL8555085 0.83 HTR1A (0.73) ADRA1DSLC6A4HTR1AHTR7
SCHEMBL8552976 0.83 HTR1A (0.66) ADRA1DSLC6A4HTR1AHTR7
SCHEMBL8557457 0.82 HTR7 (0.65) ADRA1DSLC6A4HTR1AHTR7KCNH2

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