SCHEMBL4673489

SCHEMBL4673489

CN(C)S(=O)(=O)N1CCN(S(=O)(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)[C@@H](C(=O)NOCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.43
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR1A P08908 1/20 0.38
DRD1 P21728 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR6 P50406 1/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL7554209 1.00 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4670825 0.87 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4671422 0.82 ADAM10 (0.32)
SCHEMBL4677227 0.78 HSD11B1 (0.43) HTR1AHTR1B
SCHEMBL4676070 0.77 HSD11B1 (0.46) SLC6A4HTR1AHTR1B
SCHEMBL4676985 0.73 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4671541 0.73 CTSS (0.41) SLC6A4SLC6A2SLC6A3RORC
SCHEMBL7499472 0.73 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4671379 0.71 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL7507629 0.71 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR1ADRD1

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 6 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
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed