SCHEMBL4670825

SCHEMBL4670825

CN(C)S(=O)(=O)N1CCN(S(=O)(=O)N2CCC(c3c[nH]c4ccc(C#N)cc34)CC2)[C@@H](C(=O)NO)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
HTR1A P08908 1/20 0.43
DRD1 P21728 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR6 P50406 1/20 0.43
ADAM10 O14672 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
ADAM17 P78536 1/20 0.42
RORC P51449 1/20 0.40

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
SCHEMBL4673489 0.87 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL7554209 0.87 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4676985 0.85 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL7507629 0.83 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4671541 0.83 CTSS (0.41) SLC6A4SLC6A2SLC6A3ADAM10MMP2
SCHEMBL4671379 0.83 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4671384 0.77 HSD11B1 (0.47) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL7499472 0.77 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4674797 0.76 MMP1 (0.35) MMP2MMP9ADAM17
SCHEMBL4670906 0.76 HSD11B1 (0.49) HTR1AHTR1B

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-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
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed