SCHEMBL4675645

SCHEMBL4675645

O=C(NO)C1CCCCN1S(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.52
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
OPRL1 P41146 1/20 0.50
SLC6A4 P31645 1/20 0.48
HTR1D P28221 10/20 0.47
HTR1B P28222 7/20 0.47
HTR1A P08908 1/20 0.47
HTR1F P30939 1/20 0.47
MMP1 P03956 2/20 0.45
CHRM2 P08172 1/20 0.45
DRD2 P14416 1/20 0.45

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
SCHEMBL7504079 0.92 HSD11B1 (0.52) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4676377 0.90 CYP1A2 (0.52) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL4674185 0.90 HSD11B1 (0.55) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4674188 0.90 HSD11B1 (0.55) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4673400 0.89 OPRM1 (0.46) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4673109 0.88 HSD11B1 (0.52) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4670906 0.87 HSD11B1 (0.49) HSD11B1OPRM1OPRK1OPRL1HTR1D
SCHEMBL4676985 0.86 SLC6A4 (0.50) SLC6A4HTR1BHTR1AMMP1
SCHEMBL4671507 0.86 HSD11B1 (0.46) HSD11B1OPRM1OPRK1OPRL1HTR1D
SCHEMBL4670785 0.85 HSD11B1 (0.51) HSD11B1OPRM1OPRK1OPRL1SLC6A4

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