SCHEMBL8553965

SCHEMBL8553965

N#Cc1ccc2[nH]cc(C3CCN(CCCc4c[nH]c5ccc(C(N)=O)cc45)CC3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.61
HTR1A P08908 6/20 0.58
SLC6A4 P31645 1/20 0.58
HTR6 P50406 2/20 0.57
KCNH2 Q12809 2/20 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
SCHEMBL8555865 1.00 HTR7 (0.61) HTR7HTR1ASLC6A4HTR6KCNH2
SCHEMBL8558104 0.97 SLC6A4 (0.61) HTR7HTR1ASLC6A4HTR6KCNH2
SCHEMBL8560281 0.97 SLC6A4 (0.61) HTR7HTR1ASLC6A4HTR6KCNH2
SCHEMBL8554305 0.92 HTR7 (0.70) HTR7HTR1AHTR6
SCHEMBL8557189 0.90 HTR6 (0.64) HTR1AHTR6KCNH2
SCHEMBL8554971 0.89 HTR7 (0.66) HTR7
SCHEMBL8556927 0.88 HTR7 (0.68) HTR7HTR1ASLC6A4KCNH2
SCHEMBL8553986 0.87 HTR6 (0.64) HTR1AHTR6KCNH2
SCHEMBL8872143 0.87 HTR1A (0.57) HTR7HTR1ASLC6A4HTR6KCNH2
SCHEMBL8557457 0.86 HTR7 (0.65) HTR7HTR1ASLC6A4KCNH2

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 5 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
US-5693655-A 3-indolylpiperidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-02 US 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