SCHEMBL6964096

SCHEMBL6964096

CN(C)S(=O)(=O)n1cncc1CCCCCN

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.36
NOS1 P29475 1/20 0.34
HRH1 P35367 11/20 0.33
HRH3 Q9Y5N1 3/20 0.33
HRH2 P25021 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6960237 1.00 TBXAS1 (0.36) TBXAS1NOS1HRH1HRH3HRH2
SCHEMBL6958742 1.00 TBXAS1 (0.36) TBXAS1NOS1HRH1HRH3HRH2
SCHEMBL6956227 1.00 TBXAS1 (0.36) TBXAS1NOS1HRH1HRH3HRH2
SCHEMBL8176755 1.00 TBXAS1 (0.36) TBXAS1NOS1HRH1HRH3HRH2
SCHEMBL6956307 0.99 TBXAS1 (0.34) TBXAS1NOS1HRH1HRH3HRH2
SCHEMBL7274394 0.80 KDM4E (0.36) KDM4EGAA
SCHEMBL632166 0.71 KDM4E (0.34) KDM4EGAA
SCHEMBL6961397 0.70
SCHEMBL14901212 0.70 KDM4E (0.33) KDM4EGAA
SCHEMBL8172829 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882023-B1 HISTAMINE H 3 RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2003-06-04 EP disclosed