SCHEMBL1406345

SCHEMBL1406345

N#Cc1c[nH]c2ccc(CCCN3CCC(c4c[nH]c5ccc(OC(N)=O)cc45)CC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.45
SLC6A4 P31645 5/20 0.45
DRD2 P14416 5/20 0.45
HTR7 P34969 4/20 0.45
HTR6 P50406 4/20 0.45
HTR2A P28223 3/20 0.45
HTR1D P28221 8/20 0.43
HTR1B P28222 6/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL1324162 0.87 HTR7 (0.51) DRD2HTR7HTR1DHTR1BCHRM2
SCHEMBL1323815 0.83 KCNH2 (0.49) HTR1ASLC6A4HTR6
SCHEMBL1322865 0.83 SLC6A4 (0.54) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL1322812 0.82 ADRA1D (0.59) SLC6A4
SCHEMBL1322881 0.79 ADRA1D (0.62) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL1324121 0.76 SLC6A4 (0.45) HTR1ASLC6A4HTR7HTR6
SCHEMBL1322882 0.76 HTR1A (0.45) HTR1ASLC6A4HTR7HTR2AHTR1D
SCHEMBL1323781 0.75 HTR1A (0.43) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL13955054 0.75 HTR7 (0.54) HTR1ADRD2HTR7HTR1DHTR1B
SCHEMBL1406171 0.74 HTR1A (0.47) HTR1ASLC6A4DRD2HTR7HTR6

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-1497279-B1 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GMBH (DE) 2011-03-09 EP claimed
EP-1497279-B1 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GMBH (DE) 2011-03-09 EP disclosed
EP-1497279-A2 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GmbH (DE) 2005-01-19 EP disclosed
WO-2003087086-A2 SUBSTITUTED INDOLES MERCK PATENT GMBH (DE) 2003-10-23 WO disclosed