SCHEMBL4677227

SCHEMBL4677227

O=CN1CCN(S(=O)(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)C(C(=O)NOCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
HTR1D P28221 11/20 0.42
HTR1B P28222 8/20 0.42
HTR1A P08908 2/20 0.40
HTR7 P34969 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
CCR2 P41597 1/20 0.39
HTR1F P30939 1/20 0.38
CHRM2 P08172 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL4676070 0.89 HSD11B1 (0.46) HSD11B1HTR1DHTR1BHTR1AHTR7
SCHEMBL4671507 0.86 HSD11B1 (0.46) HSD11B1HTR1DHTR1BHTR1AOPRM1
SCHEMBL4671070 0.82 MMP1 (0.49) HSD11B1HTR1DHTR1BHTR1AHTR7
SCHEMBL4673489 0.78 SLC6A4 (0.43) HTR1BHTR1A
SCHEMBL7554209 0.78 SLC6A4 (0.43) HTR1BHTR1A
SCHEMBL7451768 0.76 HSD11B1 (0.45) HSD11B1HTR1DHTR1BHTR1AHTR7
SCHEMBL4676559 0.76 HSD11B1 (0.45) HSD11B1HTR1DHTR1BHTR1AHTR7
SCHEMBL4670906 0.75 HSD11B1 (0.49) HSD11B1HTR1DHTR1BHTR1AOPRM1
SCHEMBL7447466 0.74 OPRM1 (0.53) HSD11B1HTR1DHTR1BHTR1AOPRM1
SCHEMBL4675424 0.74 OPRM1 (0.53) HSD11B1HTR1DHTR1BHTR1AOPRM1

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
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed