SCHEMBL6337236

SCHEMBL6337236

O=S(=O)(NCCN1CCCCC1)c1ccc2ccccc2c1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.68
POLB P06746 1/20 0.66
ALDH1A1 P00352 1/20 0.65
HTR1A P08908 1/20 0.64
ADRA2A P08913 1/20 0.64
SIGMAR1 Q99720 7/20 0.63
DRD2 P14416 1/20 0.60
HTR2A P28223 1/20 0.60
HTR6 P50406 1/20 0.60
PARP1 P09874 2/20 0.60

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
SCHEMBL6340577 0.99 HTR7 (0.70) HTR7POLBALDH1A1HTR1AADRA2A
SCHEMBL6338842 0.91 POLB (0.80) HTR7POLBHTR1AADRA2ADRD2
SCHEMBL6341348 0.90 POLB (0.74) HTR7POLBHTR1AADRA2ADRD2
SCHEMBL9895010 0.87 HTR7 (0.65) HTR7POLBALDH1A1HTR1AADRA2A
SCHEMBL7426154 0.86 HTR7 (0.61) HTR7POLBALDH1A1HTR1AADRA2A
SCHEMBL24069077 0.85 HTR7 (0.87) HTR7POLBALDH1A1HTR1AADRA2A
SCHEMBL25758471 0.83 HTR7 (0.60) HTR7POLBALDH1A1HTR1AADRA2A
SCHEMBL4196782 0.83 SIGMAR1 (0.73) HTR7SIGMAR1PARP1
SCHEMBL4617661 0.81 SFRP1 (0.61) HTR7ALDH1A1SIGMAR1PARP1
SCHEMBL6568486 0.81 SIGMAR1 (0.72) HTR7ALDH1A1SIGMAR1PARP1

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
US-6878736-B1 Histamine H3 receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2005-04-12 US disclosed
EP-1056733-B1 HISTAMINE H3 RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2004-01-07 EP disclosed
EP-1056733-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-12-06 EP disclosed
WO-1999042458-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-08-26 WO disclosed