SCHEMBL4671640

SCHEMBL4671640

O=C(NO)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ME2 P23368 4/20 0.44
ME1 P48163 4/20 0.44
ME3 Q16798 4/20 0.44
MMP1 P03956 1/20 0.42
DEGS1 O15121 1/20 0.41
DRD2 P14416 6/20 0.39
PANK3 Q9H999 1/20 0.39
DRD4 P21917 5/20 0.38
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR7 P34969 2/20 0.36
DRD3 P35462 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
AKT1 P31749 1/20 0.36
TRPV1 Q8NER1 2/20 0.36

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
SCHEMBL4671636 1.00 ME2 (0.44) ME2ME1ME3MMP1DEGS1
SCHEMBL4671264 0.84 MMP1 (0.48) MMP1DRD2PANK3DRD4HTR1A
SCHEMBL4671268 0.84 MMP1 (0.48) MMP1DRD2PANK3DRD4HTR1A
SCHEMBL4672909 0.83 MMP1 (0.46) MMP1DEGS1DRD2PANK3DRD4
SCHEMBL4672904 0.83 MMP1 (0.46) MMP1DEGS1DRD2PANK3DRD4
SCHEMBL4671294 0.80 MMP1 (0.41) MMP1DRD2PANK3DRD4HTR1A
SCHEMBL4671292 0.80 MMP1 (0.41) MMP1DRD2PANK3DRD4HTR1A
SCHEMBL4675503 0.78 ALDH1A1 (0.41) MMP1DRD2PANK3DRD4
SCHEMBL4675501 0.78 ALDH1A1 (0.41) MMP1DRD2PANK3DRD4
SCHEMBL4673508 0.78 MMP1 (0.65) MMP1DRD2PANK3DRD4GPR119

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 5 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
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