SCHEMBL4675424

SCHEMBL4675424

O=C(NO)[C@H]1CN(CC2CC2)CCN1S(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.53
OPRK1 P41145 1/20 0.53
OPRL1 P41146 1/20 0.53
HTR1D P28221 13/20 0.46
HSD11B1 P28845 3/20 0.45
HTR1B P28222 10/20 0.44
CHRM2 P08172 1/20 0.44
DRD2 P14416 1/20 0.44
HTR1A P08908 2/20 0.42
HTR1F P30939 1/20 0.42
SLC6A4 P31645 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
SCHEMBL7447466 1.00 OPRM1 (0.53) OPRM1OPRK1OPRL1HTR1DHSD11B1
SCHEMBL4675528 0.94 DRD2 (0.46) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL7448712 0.94 DRD2 (0.46) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL4670906 0.86 HSD11B1 (0.49) OPRM1OPRK1OPRL1HTR1DHSD11B1
SCHEMBL4671507 0.85 HSD11B1 (0.46) OPRM1OPRK1OPRL1HTR1DHSD11B1
SCHEMBL4675645 0.85 HSD11B1 (0.52) OPRM1OPRK1OPRL1HTR1DHSD11B1
SCHEMBL4671384 0.84 HSD11B1 (0.47) OPRM1OPRK1OPRL1HTR1DHSD11B1
SCHEMBL4670881 0.83 HSD11B1 (0.46) OPRM1OPRK1OPRL1HTR1DHSD11B1
SCHEMBL4671070 0.81 MMP1 (0.49) OPRM1OPRK1OPRL1HTR1DHSD11B1
SCHEMBL4671541 0.79 CTSS (0.41) HTR1DSLC6A4

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