SCHEMBL1406161

SCHEMBL1406161

N#Cc1c[nH]c2cc(CCCN3CCN(c4ccc5oc(OC(N)=O)cc5c4)CC3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.54
SLC6A3 Q01959 12/20 0.54
HTR1A P08908 12/20 0.54
SLC6A4 P31645 10/20 0.54
ADRA2A P08913 2/20 0.54
DRD2 P14416 2/20 0.54
ADRA2C P18825 2/20 0.54
ADRA1D P25100 2/20 0.54
HTR7 P34969 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
ADRA2B P18089 1/20 0.54
KCNH2 Q12809 1/20 0.54
ADRB2 P07550 1/20 0.53
DRD4 P21917 1/20 0.53
FPR3 P25089 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
GPR183 P32249 1/20 0.53
HRH1 P35367 1/20 0.53

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
SCHEMBL1406042 0.94 HTR1A (0.57) SLC6A2SLC6A3HTR1ASLC6A4ADRA2A
SCHEMBL1323768 0.90 SLC6A2 (0.65) SLC6A2SLC6A3HTR1ASLC6A4ADRA2A
SCHEMBL1406205 0.84 HTR1A (0.53) SLC6A2SLC6A3HTR1ASLC6A4ADRA2A
SCHEMBL1323756 0.83 HTR1A (0.70) SLC6A2SLC6A3HTR1ASLC6A4ADRA2A
SCHEMBL5736429 0.83 HTR1A (0.63) SLC6A2SLC6A3HTR1ASLC6A4ADRA2A
SCHEMBL12124063 0.78 SLC6A2 (0.64) SLC6A2SLC6A3HTR1ASLC6A4ADRA2A
SCHEMBL1323840 0.78 HTR1A (0.56) SLC6A2SLC6A3HTR1ASLC6A4ADRA2A
SCHEMBL1323787 0.77 HTR1A (0.53) SLC6A2SLC6A3HTR1ASLC6A4ADRA2A
SCHEMBL1323806 0.76 HTR1A (0.54) SLC6A2SLC6A3HTR1ASLC6A4ADRA2A
SCHEMBL12121308 0.76 HTR1A (0.52) SLC6A2SLC6A3HTR1ASLC6A4ADRA2A

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 8 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
JP-2005523310-A 2005-08-04 JP claimed
US-6911476-B2 Sulfonamide derivatives ELI LILLY AND COMPANY (US) 2005-06-28 US claimed
EP-1497279-A2 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GmbH (DE) 2005-01-19 EP claimed
WO-2003087086-A2 SUBSTITUTED INDOLES MERCK PATENT GMBH (DE) 2003-10-23 WO 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