SCHEMBL8560281

SCHEMBL8560281

N#Cc1ccc2[nH]cc(C3CCN(CCCCc4c[nH]c5ccc(C(N)=O)cc45)CC3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.61
HTR1A P08908 5/20 0.59
HTR7 P34969 1/20 0.58
HTR6 P50406 1/20 0.57
KCNH2 Q12809 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
SCHEMBL8558104 1.00 SLC6A4 (0.61) SLC6A4HTR1AHTR7HTR6KCNH2
SCHEMBL8555865 0.97 HTR7 (0.61) SLC6A4HTR1AHTR7HTR6KCNH2
SCHEMBL8553965 0.97 HTR7 (0.61) SLC6A4HTR1AHTR7HTR6KCNH2
SCHEMBL8554971 0.92 HTR7 (0.66) HTR7
SCHEMBL8553986 0.90 HTR6 (0.64) HTR1AHTR6KCNH2
SCHEMBL8554305 0.89 HTR7 (0.70) HTR1AHTR7HTR6
SCHEMBL8560920 0.89 HTR7 (0.65) HTR7
SCHEMBL8557189 0.87 HTR6 (0.64) HTR1AHTR6KCNH2
SCHEMBL8872314 0.87 HTR1A (0.58) SLC6A4HTR1AHTR7HTR6KCNH2
SCHEMBL8556927 0.86 HTR7 (0.68) SLC6A4HTR1AHTR7KCNH2

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