SCHEMBL8554029

SCHEMBL8554029

Fc1ccc2[nH]cc(CCCN3CCC(c4c[nH]c5cccc(F)c45)CC3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.70
HTR7 P34969 5/20 0.70
KCNH2 Q12809 3/20 0.70
SLC6A4 P31645 2/20 0.70
HTR6 P50406 2/20 0.62
MPO P05164 3/20 0.62

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
SCHEMBL8558619 0.94 HTR1A (0.62) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL8557344 0.88 HTR1A (0.76) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL8558891 0.85 ADRA1D (0.71) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL8557097 0.85 HTR1A (0.70) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL9231794 0.84 HTR2A (0.57) HTR1AKCNH2SLC6A4HTR6
SCHEMBL8870468 0.84 HTR1A (0.64) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL8557211 0.82 KMT2A (0.52) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL8557700 0.81 MPO (0.71) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL8879463 0.80 SLC6A4 (0.62) HTR1ASLC6A4
SCHEMBL8557474 0.80 HSD11B1 (0.48) HTR1AHTR7KCNH2SLC6A4HTR6

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