SCHEMBL4670906

SCHEMBL4670906

CC(=O)N1CCN(S(=O)(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)[C@@H](C(=O)NO)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.49
HTR1D P28221 9/20 0.46
HTR1B P28222 6/20 0.46
HTR1A P08908 2/20 0.46
HTR1F P30939 2/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KDM4E B2RXH2 1/20 0.44
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
CREBBP Q92793 1/20 0.44
CCR2 P41597 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
CHRM2 P08172 1/20 0.42
DRD2 P14416 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
SCHEMBL4671384 0.91 HSD11B1 (0.47) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL4670881 0.90 HSD11B1 (0.46) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL4671507 0.87 HSD11B1 (0.46) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL4675645 0.87 HSD11B1 (0.52) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL7447466 0.86 OPRM1 (0.53) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL4675424 0.86 OPRM1 (0.53) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL4676633 0.85 KDM4E (0.45) HTR1DHTR1BHTR1AHTR1FMTNR1A
SCHEMBL4671070 0.85 MMP1 (0.49) HSD11B1HTR1DHTR1BHTR1ACCR2
SCHEMBL7504079 0.81 HSD11B1 (0.52) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL7448712 0.79 DRD2 (0.46) HTR1DHTR1BHTR1ACCR2OPRM1

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