SCHEMBL4673400

SCHEMBL4673400

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
MMP1 P03956 2/20 0.45
HTR6 P50406 3/20 0.43
HTR1D P28221 7/20 0.41
HTR1B P28222 6/20 0.41
HTR1A P08908 4/20 0.41
HTR1F P30939 2/20 0.41
HSD11B1 P28845 1/20 0.39
SLC6A4 P31645 1/20 0.39
CTSS P25774 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
THPO P40225 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4671470 0.93 MMP1 (0.45) OPRM1OPRK1OPRL1MMP1SLC6A4
SCHEMBL4676377 0.90 CYP1A2 (0.52) MMP1HTR6HTR1DHTR1BHTR1A
SCHEMBL4675645 0.89 HSD11B1 (0.52) OPRM1OPRK1OPRL1MMP1HTR1D
SCHEMBL7511674 0.89 OPRM1 (0.48) OPRM1OPRK1OPRL1HTR6HTR1D
SCHEMBL4676985 0.86 SLC6A4 (0.50) MMP1HTR6HTR1BHTR1ASLC6A4
SCHEMBL4676904 0.82 CCR2 (0.46) OPRM1OPRK1OPRL1SLC6A4CTSS
SCHEMBL4676906 0.82 CCR2 (0.46) OPRM1OPRK1OPRL1SLC6A4CTSS
SCHEMBL7504079 0.81 HSD11B1 (0.52) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL4671071 0.79 MAPT (0.55) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL4674188 0.78 HSD11B1 (0.55) OPRM1OPRK1OPRL1HTR1DHTR1B

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