SCHEMBL4671379

SCHEMBL4671379

N#Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)N4CCN(C(=O)N5CCOCC5)C[C@@H]4C(=O)NO)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.47
MMP9 P14780 2/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP13 P45452 1/20 0.43
RORC P51449 1/20 0.41
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
ADAM10 O14672 1/20 0.38
MMP2 P08253 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 1/20 0.38
HTR1A P08908 2/20 0.37
DRD1 P21728 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR6 P50406 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
SCHEMBL7507629 1.00 SLC6A4 (0.47) SLC6A4MMP9MMP1MMP3MMP7
SCHEMBL4676985 0.84 SLC6A4 (0.50) SLC6A4MMP9MMP1RORCSLC6A2
SCHEMBL4670825 0.83 SLC6A4 (0.43) SLC6A4MMP9RORCSLC6A2SLC6A3
SCHEMBL4671541 0.82 CTSS (0.41) SLC6A4MMP9RORCSLC6A2SLC6A3
SCHEMBL4671515 0.80 SLC6A4 (0.60) SLC6A4RORCSLC6A2SLC6A3HTR1A
SCHEMBL8111634 0.79 SLC6A4 (0.47) SLC6A4RORCSLC6A2SLC6A3HTR1A
SCHEMBL4670906 0.76 HSD11B1 (0.49) HTR1AHTR1B
SCHEMBL7499472 0.76 SLC6A4 (0.52) SLC6A4RORCSLC6A2SLC6A3HTR1A
SCHEMBL4671384 0.74 HSD11B1 (0.47) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4671507 0.74 HSD11B1 (0.46) 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 claimed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
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