SCHEMBL4671176

SCHEMBL4671176

Fc1c(F)c(F)c2c(C3CCNCC3)c[nH]c2c1F.NS(=O)(=O)Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
HTR6 P50406 7/20 0.35
HTR2C P28335 4/20 0.35
ADRB2 P07550 1/20 0.35
APP P05067 2/20 0.33
HTR1F P30939 2/20 0.31
NMT2 O60551 1/20 0.30
NMT1 P30419 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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 SCHEMBL27394678 0.91 IKBKB (0.37) IKBKBCHUKHTR6HTR2CADRB2
SCHEMBL4671003 0.89 HTR2C (0.42) IKBKBCHUKHTR6HTR2CADRB2
SCHEMBL8111513 0.68 ADRA1D (0.36) HTR1FHTR1ASLC6A4
SCHEMBL6812125 0.64 APP (0.53) IKBKBCHUKHTR6HTR2CADRB2
SCHEMBL6812169 0.62 HTR2C (0.59) IKBKBCHUKHTR6HTR2CADRB2
SCHEMBL4670823 0.62 IRAK4 (0.41) HTR1F
SCHEMBL5387687 0.61 SLC6A4 (0.59) HTR6HTR2CADRB2APPHTR1A
SCHEMBL4796283 0.61 APP (0.47) HTR6HTR2CADRB2APPHTR1F
SCHEMBL27097009 0.60 CHEK1 (0.49) HTR2CADRB2APP
SCHEMBL30729911 0.60 CHEK1 (0.49) HTR2CADRB2APP

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 7 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-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