SCHEMBL8585089

SCHEMBL8585089

FC=C(CBr)CCc1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.69
AOC2 O75106 2/20 0.69
MAOA P21397 2/20 0.69
AOC3 Q16853 1/20 0.69
PTPN1 P18031 1/20 0.41
FFAR1 O14842 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
DAO P14920 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL8585084 1.00 MAOB (0.69) MAOBAOC2MAOAAOC3PTPN1
SCHEMBL7322216 0.83 MAOB (0.71) MAOBAOC2MAOAAOC3FFAR1
SCHEMBL7322207 0.83 MAOB (0.71) MAOBAOC2MAOAAOC3FFAR1
Mofegiline SCHEMBL1295041 0.81 MAOB (1.00) MAOBAOC2MAOAAOC3FFAR1
Mofegiline SCHEMBL14005358 0.81 MAOB (1.00) MAOBAOC2MAOAAOC3FFAR1
Mofegiline SCHEMBL147813 0.81 MAOB (1.00) MAOBAOC2MAOAAOC3FFAR1
SCHEMBL8585905 0.81 AOC2 (0.69) MAOBAOC2MAOAAOC3FFAR1
Mofegiline SCHEMBL1295043 0.81 MAOB (1.00) MAOBAOC2MAOAAOC3FFAR1
SCHEMBL8585907 0.81 AOC2 (0.69) MAOBAOC2MAOAAOC3FFAR1
SCHEMBL14005455 0.81 AOC3 (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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0875499-A2 Process for the crystallisation of alkali metal salts of diformylamide HOECHST MARION ROUSSEL, INC. (US) 1998-11-04 EP claimed
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 claimed
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-5599986-A CRYSTALLIZATION YIELDS PURE FREE-FLOWING GRANULAR SOLIDS HOECHST MARION ROUSSEL INC. (US) 1997-02-04 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