SCHEMBL7322216

SCHEMBL7322216

OCC(=CF)CCc1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.71
AOC2 O75106 2/20 0.71
MAOA P21397 2/20 0.71
AOC3 Q16853 1/20 0.71
FFAR1 O14842 1/20 0.42
TAAR1 Q96RJ0 3/20 0.42
TRPA1 O75762 1/20 0.42
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
DAO P14920 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL7322207 1.00 MAOB (0.71) MAOBAOC2MAOAAOC3FFAR1
SCHEMBL8585905 0.83 AOC2 (0.69) MAOBAOC2MAOAAOC3FFAR1
SCHEMBL8585089 0.83 MAOB (0.69) MAOBAOC2MAOAAOC3FFAR1
Mofegiline SCHEMBL1295041 0.83 MAOB (1.00) MAOBAOC2MAOAAOC3FFAR1
SCHEMBL14005455 0.83 AOC3 (0.69) MAOBAOC2MAOAAOC3FFAR1
Mofegiline SCHEMBL147813 0.83 MAOB (1.00) MAOBAOC2MAOAAOC3FFAR1
Mofegiline SCHEMBL1295043 0.83 MAOB (1.00) MAOBAOC2MAOAAOC3FFAR1
Mofegiline SCHEMBL14005358 0.83 MAOB (1.00) MAOBAOC2MAOAAOC3FFAR1
SCHEMBL8585907 0.83 AOC2 (0.69) MAOBAOC2MAOAAOC3FFAR1
SCHEMBL8585084 0.83 MAOB (0.69) MAOBAOC2MAOAAOC3FFAR1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784604-B1 PROCESS FOR THE PREPARATION OF (E)-2-FLUOROMETHYLENE-4-(4-FLUOROPHENYL) BUTAN-1-OL HOECHST MARION ROUSSEL INC (US) 1999-11-17 EP claimed
EP-0875499-A2 Process for the crystallisation of alkali metal salts of diformylamide HOECHST MARION ROUSSEL, INC. (US) 1998-11-04 EP claimed
US-5679854-A Process for the preparation of (epsilon)-1-amino-2-(fluoromethylene)-4-(p-fluorophenyl)butane and novel intermediate thereof HOECHST MARION ROUSSEL, INC. (US) 1997-10-21 US claimed
EP-0295604-A1 (E)-2-(p-Fluorophenethyl)-3-fluoroallylamine MERRELL DOW PHARMACEUTICALS INC. (US) 1988-12-21 EP claimed
JP-1016752-A None JP disclosed
EP-0784604-B1 PROCESS FOR THE PREPARATION OF (E)-2-FLUOROMETHYLENE-4-(4-FLUOROPHENYL) BUTAN-1-OL HOECHST MARION ROUSSEL INC (US) 1999-11-17 EP disclosed
EP-0784604-B1 PROCESS FOR THE PREPARATION OF (E)-2-FLUOROMETHYLENE-4-(4-FLUOROPHENYL) BUTAN-1-OL HOECHST MARION ROUSSEL INC (US) 1999-11-17 EP disclosed
EP-0875499-A2 Process for the crystallisation of alkali metal salts of diformylamide HOECHST MARION ROUSSEL, INC. (US) 1998-11-04 EP disclosed
US-5679854-A Process for the preparation of (epsilon)-1-amino-2-(fluoromethylene)-4-(p-fluorophenyl)butane and novel intermediate thereof HOECHST MARION ROUSSEL, INC. (US) 1997-10-21 US disclosed
US-5679854-A Process for the preparation of (epsilon)-1-amino-2-(fluoromethylene)-4-(p-fluorophenyl)butane and novel intermediate thereof HOECHST MARION ROUSSEL, INC. (US) 1997-10-21 US disclosed
CN-1159179-A Processes for preparation of (E)-2-fluoromethylene-4-(4-fluorophenyl) butylamine and alkali metal salts of diformylamide HOECHST MARION ROUSSEL INC (US) 1997-09-10 CN disclosed
EP-0784604-A1 PROCESSES FOR THE PREPARATION OF (E)-2-FLUOROMETHYLENE-4-(4-FLUOROPHENYL) BUTYLAMINE AND ALKALI METAL SALTS OF DIFORMYLAMIDE HOECHST MARION ROUSSEL, INC. (US) 1997-07-23 EP disclosed
EP-0720475-A1 TRANSDERMAL DEVICE CONTAINING (E)-2-(P-FLUOROPHENETHYL)-3-FLUOROALLYLAMINE FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS INC. (US) 1996-07-10 EP disclosed
WO-1996010003-A1 PROCESSES FOR THE PREPARATION OF (E)-2-FLUOROMETHYLENE-4-(4-FLUOROPHENYL) BUTYLAMINE AND ALKALI METAL SALTS OF DIFORMYLAMIDE HOECHST MARION ROUSSEL, INC. (US) 1996-04-04 WO disclosed
US-5488188-A Process for the preparation of (E)-1-amino-2-(fluoromethylene)-4-(p-fluorophenyl)butane, novel processes for preparing an intermediate thereof, and novel intermediates thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1996-01-30 US disclosed
US-5488188-A Process for the preparation of (E)-1-amino-2-(fluoromethylene)-4-(p-fluorophenyl)butane, novel processes for preparing an intermediate thereof, and novel intermediates thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1996-01-30 US disclosed
WO-1995008325-A1 TRANSDERMAL DEVICE CONTAINING (E)-2-(P-FLUOROPHENETHYL)-3-FLUOROALLYLAMINE FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS INC. (US) 1995-03-30 WO disclosed
EP-0642338-A1 USE OF (E)-2-(p-FLUOROPHENETHYL)-3-FLUOROALLYLAMINE IN THE TREATEMENT OF ALZHEIMER'S DISEASE. MERRELL DOW PHARMA (US) 1995-03-15 EP disclosed
WO-1993024120-A1 USE OF (E)-2-(p-FLUOROPHENETHYL)-3-FLUOROALLYLAMINE IN THE TREATEMENT OF ALZHEIMER'S DISEASE MERRELL DOW PHARMACEUTICALS INC. (US) 1993-12-09 WO disclosed
EP-0295604-A1 (E)-2-(p-Fluorophenethyl)-3-fluoroallylamine MERRELL DOW PHARMACEUTICALS INC. (US) 1988-12-21 EP disclosed