SCHEMBL4674201

SCHEMBL4674201

CS(=O)(=O)n1cc(C2CC[N]CC2)c2cc(C#N)ccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.38
SLC6A4 P31645 2/20 0.37
HTR1A P08908 4/20 0.36
PGR P06401 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KLK7 P49862 1/20 0.35
RORC P51449 2/20 0.34

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
SCHEMBL4674205 0.87 HTR6 (0.51) HTR6SLC6A4HTR1APGR
SCHEMBL4670792 0.84 HTR1A (0.37) HTR6SLC6A4HTR1AIRAK4RORC
SCHEMBL4671138 0.75 RORC (0.39) HTR6RORC
SCHEMBL4671137 0.75 RORC (0.39) HTR6RORC
SCHEMBL4671109 0.74 SMN1; SMN2 (0.44) HTR6
SCHEMBL4670879 0.73 HTR6 (0.45) HTR6SLC6A4HTR1ACNR1CNR2
SCHEMBL4673194 0.73 MMP2 (0.42) RORC
SCHEMBL1366189 0.69 CYP11B2 (0.48) HTR6SLC6A4
SCHEMBL6636075 0.68 SLC6A4 (0.53) SLC6A4HTR1ACNR1CNR2RORC
Ethylene SCHEMBL7478496 0.67 SLC6A4 (0.51) SLC6A4HTR1ACNR1CNR2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed