SCHEMBL4670567

SCHEMBL4670567

C[Si](C)(C)CCS(=O)(=O)n1cc(C2CCNCC2)c2cc(F)ccc21

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.61
KCNH2 Q12809 1/20 0.43
SLC6A4 P31645 4/20 0.41
DRD2 P14416 1/20 0.41
HTR1A P08908 3/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KLK7 P49862 1/20 0.37
APP P05067 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
Sulfamate SCHEMBL27480106 0.94 HTR6 (0.56) HTR6KCNH2SLC6A4DRD2HTR1A
SCHEMBL4670879 0.86 HTR6 (0.45) HTR6KCNH2SLC6A4HTR1AKLK7
SCHEMBL4676393 0.82 HTR6 (0.42) HTR6SLC6A4DRD2
SCHEMBL4676560 0.80 DRD2 (0.42) HTR6SLC6A4DRD2HTR1A
SCHEMBL4674696 0.80 SCN9A (0.44) HTR6
Hydrochloric Acid SCHEMBL29047287 0.79 HTR6 (0.70) HTR6KCNH2SLC6A4DRD2HTR1A
Hydrochloric Acid SCHEMBL26912043 0.76 HTR6 (0.79) HTR6KCNH2HTR1AKLK7
SCHEMBL3337821 0.74 HTR6 (1.00) HTR6KCNH2HTR1AKLK7
Hydrochloric Acid SCHEMBL29047285 0.74 HTR6 (0.72) HTR6KCNH2HTR1AKLK7
SCHEMBL4675116 0.73 SLC6A4 (0.66) HTR6KCNH2SLC6A4DRD2HTR1A

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
CN-1093125-C Sulfamide-metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-23 CN 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
CN-1250445-A Sulfamide-metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2000-04-12 CN disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed