SCHEMBL4671003

SCHEMBL4671003

Fc1c(F)c(F)c2c(C3CCNCC3)c[nH]c2c1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.42
ADRB2 P07550 1/20 0.42
APP P05067 3/20 0.38
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 4/20 0.36
HTR1A P08908 4/20 0.36
HTR6 P50406 1/20 0.33
HTR1F P30939 1/20 0.33

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
SCHEMBL4671176 0.89 IKBKB (0.36) HTR2CADRB2APPIKBKBCHUK
Sulfamate SCHEMBL27394678 0.87 IKBKB (0.37) HTR2CADRB2APPIKBKBCHUK
SCHEMBL8111513 0.76 ADRA1D (0.36) SLC6A4HTR1AHTR1F
SCHEMBL6812125 0.72 APP (0.53) HTR2CADRB2APPIKBKBCHUK
SCHEMBL6812169 0.70 HTR2C (0.59) HTR2CADRB2APPIKBKBCHUK
SCHEMBL5387687 0.69 SLC6A4 (0.59) HTR2CADRB2APPSLC6A2SLC6A4
SCHEMBL4796283 0.69 APP (0.47) HTR2CADRB2APPSLC6A2SLC6A4
SCHEMBL5542721 0.64 HTR1A (0.42) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL10419750 0.63 SLC6A2 (0.48) HTR2CAPPSLC6A2SLC6A4SLC6A3
SCHEMBL8875495 0.63 HTR2C (0.59) HTR2CADRB2APPSLC6A2SLC6A4

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 10 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
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