SCHEMBL4676985

SCHEMBL4676985

N#Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)N4CCCC[C@@H]4C(=O)NO)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.50
RORC P51449 1/20 0.48
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
MMP1 P03956 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
HTR1A P08908 1/20 0.42
DRD1 P21728 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL7499472 0.89 SLC6A4 (0.52) SLC6A4RORCSLC6A2SLC6A3HTR1A
SCHEMBL4676377 0.87 CYP1A2 (0.52) MMP1HTR1AHTR1BHTR2AHTR6
SCHEMBL4675645 0.86 HSD11B1 (0.52) SLC6A4MMP1HTR1AHTR1B
SCHEMBL4673400 0.86 OPRM1 (0.46) SLC6A4MMP1HTR1AHTR1BHTR6
SCHEMBL4670825 0.85 SLC6A4 (0.43) SLC6A4RORCSLC6A2SLC6A3ADAM10
SCHEMBL7507629 0.84 SLC6A4 (0.47) SLC6A4RORCSLC6A2SLC6A3MMP1
SCHEMBL4671541 0.84 CTSS (0.41) SLC6A4RORCSLC6A2SLC6A3ADAM10
SCHEMBL4671379 0.84 SLC6A4 (0.47) SLC6A4RORCSLC6A2SLC6A3MMP1
SCHEMBL4671470 0.81 MMP1 (0.45) SLC6A4MMP1
SCHEMBL4673194 0.80 MMP2 (0.42) RORCMMP1ADAM10MMP2MMP9

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