SCHEMBL8553986

SCHEMBL8553986

N#Cc1ccc2[nH]cc(CCCCN3CCC(c4c[nH]c5ccc(C#N)cc45)CC3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.64
KCNH2 Q12809 2/20 0.64
HTR1A P08908 4/20 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
SCHEMBL8557189 0.97 HTR6 (0.64) HTR6KCNH2HTR1A
SCHEMBL8560281 0.90 SLC6A4 (0.61) HTR6KCNH2HTR1A
SCHEMBL8558104 0.90 SLC6A4 (0.61) HTR6KCNH2HTR1A
SCHEMBL11247527 0.88 HTR6 (0.65) HTR6KCNH2HTR1A
SCHEMBL17063682 0.87 HTR1A (0.63) HTR1A
SCHEMBL8555865 0.87 HTR7 (0.61) HTR6KCNH2HTR1A
SCHEMBL8553965 0.87 HTR7 (0.61) HTR6KCNH2HTR1A
SCHEMBL8878773 0.86 SLC6A4 (0.60) HTR6KCNH2HTR1A
SCHEMBL8871147 0.85 HTR1A (0.59) HTR6KCNH2HTR1A
SCHEMBL3094934 0.85 HTR1A (0.68) HTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP claimed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP claimed
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