SCHEMBL3506284

SCHEMBL3506284

NCC(=CF)COc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 1.00
AOC2 O75106 4/20 1.00
MAOA P21397 4/20 1.00
DAO P14920 2/20 1.00
AOC3 Q16853 15/20 0.65

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
SCHEMBL3506282 1.00 MAOB (1.00) MAOBAOC2MAOADAOAOC3
SCHEMBL10615836 1.00 MAOB (1.00) MAOBAOC2MAOADAOAOC3
SCHEMBL23718739 0.90 AOC2 (0.81) MAOBAOC2MAOADAOAOC3
SCHEMBL23718741 0.90 AOC2 (0.81) MAOBAOC2MAOADAOAOC3
Hydrochloric Acid SCHEMBL23701794 0.89 AOC2 (0.79) MAOBAOC2MAOADAOAOC3
Hydrochloric Acid SCHEMBL23701736 0.89 AOC2 (0.79) MAOBAOC2MAOADAOAOC3
SCHEMBL1294789 0.84 MAOB (1.00) MAOBAOC2MAOADAOAOC3
SCHEMBL1294793 0.84 MAOB (1.00) MAOBAOC2MAOADAOAOC3
SCHEMBL1294791 0.84 MAOB (1.00) MAOBAOC2MAOADAOAOC3
SCHEMBL1294159 0.82 MAOB (0.73) MAOBAOC2MAOADAOAOC3

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-0168013-B1 FLUOROALLYLAMINE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-02 EP claimed
EP-0168013-A1 Fluoroallylamine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1986-01-15 EP claimed
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 US disclosed
EP-2195029-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES Oryzon Genomics SA (ES) 2010-06-16 EP disclosed
WO-2009027349-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS SA (ES) 2009-03-05 WO disclosed
CN-1008817-B Process for preparing fluoroallylamine derivatives MERRELL DOW PHARMACEVTICALS IN (US) 1990-07-18 CN disclosed
EP-0168013-B1 FLUOROALLYLAMINE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-02 EP disclosed
US-4699928-A ANTIDEPRESSANTS, TREATMENT OF PARKINSON'S DISEASE MERRELL DOW PHARMACEUTICALS INC. (US) 1987-10-13 US disclosed
CN-85106281-A The preparation method of fluoroallylamine derivatives 1987-02-18 CN disclosed
EP-0168013-A1 Fluoroallylamine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1986-01-15 EP disclosed