SCHEMBL4675528

SCHEMBL4675528

O=C(NO)[C@H]1CN(CC2CC2)CCN1S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2A P28223 6/20 0.44
HTR7 P34969 3/20 0.44
KCNH2 Q12809 3/20 0.44
ADRA1D P25100 3/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
HTR1A P08908 2/20 0.42
DRD1 P21728 2/20 0.42
HTR2C P28335 2/20 0.42
DRD3 P35462 2/20 0.42
HTR6 P50406 2/20 0.42
HTR1D P28221 7/20 0.42
HTR1B P28222 5/20 0.42
CCR2 P41597 2/20 0.41
ADRA1B P35368 1/20 0.40
CHRM2 P08172 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
SCHEMBL7448712 1.00 DRD2 (0.46) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL7447466 0.94 OPRM1 (0.53) DRD2SLC6A4OPRM1OPRK1OPRL1
SCHEMBL4675424 0.94 OPRM1 (0.53) DRD2SLC6A4OPRM1OPRK1OPRL1
SCHEMBL4670906 0.79 HSD11B1 (0.49) DRD2OPRM1OPRK1OPRL1HTR1A
SCHEMBL4671507 0.79 HSD11B1 (0.46) DRD2OPRM1OPRK1OPRL1HTR1A
SCHEMBL4675645 0.78 HSD11B1 (0.52) DRD2SLC6A4OPRM1OPRK1OPRL1
SCHEMBL4671384 0.77 HSD11B1 (0.47) SLC6A4HTR2AOPRM1OPRK1OPRL1
SCHEMBL4670881 0.77 HSD11B1 (0.46) DRD2OPRM1OPRK1OPRL1HTR1A
SCHEMBL4676633 0.77 KDM4E (0.45) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL4671070 0.75 MMP1 (0.49) HTR7OPRM1OPRK1OPRL1HTR1A

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 3 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