SCHEMBL4671071

SCHEMBL4671071

O=C(O)C1CCCCN1S(=O)(=O)N1CCC(c2c[nH]c3ccc(O)cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
BLM P54132 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
THPO P40225 1/20 0.55
CCR2 P41597 2/20 0.45
HSD11B1 P28845 1/20 0.42
HTR1D P28221 12/20 0.41
HTR1B P28222 9/20 0.41
HTR1A P08908 2/20 0.41
HTR1F P30939 2/20 0.41
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
CHRM2 P08172 1/20 0.39
DRD2 P14416 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
SCHEMBL4676377 0.89 CYP1A2 (0.52) MAPTBLMNPSR1CYP1A2CYP3A4
SCHEMBL4674188 0.89 HSD11B1 (0.55) CCR2HSD11B1HTR1DHTR1BHTR1A
SCHEMBL4674185 0.89 HSD11B1 (0.55) CCR2HSD11B1HTR1DHTR1BHTR1A
SCHEMBL4676904 0.83 CCR2 (0.46) CCR2OPRM1OPRK1OPRL1
SCHEMBL4676906 0.83 CCR2 (0.46) CCR2OPRM1OPRK1OPRL1
SCHEMBL7511674 0.80 OPRM1 (0.48) MAPTBLMNPSR1CYP1A2CYP3A4
SCHEMBL4675645 0.79 HSD11B1 (0.52) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL4673400 0.79 OPRM1 (0.46) MAPTBLMNPSR1CYP1A2CYP3A4
SCHEMBL4673109 0.78 HSD11B1 (0.52) HSD11B1HTR1DHTR1BHTR1AHTR1F
SCHEMBL7499472 0.78 SLC6A4 (0.52) HTR1BHTR1A

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