SCHEMBL9154294

SCHEMBL9154294

NC/C(=C/F)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.62
MAOB P27338 2/20 0.62
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57

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
SCHEMBL1443826 1.00 MAOA (0.62) MAOAMAOBHDAC1HDAC2
SCHEMBL1443825 1.00 MAOA (0.62) MAOAMAOBHDAC1HDAC2
Allylamine SCHEMBL11130182 0.90 MAOA (0.53) MAOAMAOB
SCHEMBL10722870 0.80 MAOB (0.51) MAOB
SCHEMBL10723499 0.79 MAOA (0.59) MAOAMAOBHDAC1HDAC2
SCHEMBL8574266 0.79 HDAC1 (0.59) MAOAMAOBHDAC1HDAC2
SCHEMBL5617716 0.79 MAOA (0.59) MAOAMAOBHDAC1HDAC2
SCHEMBL5617714 0.79 MAOA (0.59) MAOAMAOBHDAC1HDAC2
SCHEMBL16935823 0.78 HDAC1 (0.53) MAOAMAOBHDAC1HDAC2
SCHEMBL10725020 0.78 MAOB (0.50) MAOB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0067105-B1 ALLYL AMINE MAO INHIBITORS MERRELL DOW FRANCE ET CIE (FR) 1987-09-23 EP claimed
US-4454158-A Allyl amine MAO inhibitors MERRELL TORAUDE ET COMPAGNIE (FR) 1984-06-12 US claimed
EP-0067105-A2 Allyl amine MAO inhibitors MERRELL DOW FRANCE ET CIE (FR) 1982-12-15 EP claimed
US-9161922-B2 Amine oxidase inhibitors CASE WESTERN RESERVE UNIVERSITY (US) 2015-10-20 US disclosed
EP-0330218-B1 Inhibitors of lysyl oxidase MERRELL DOW PHARMA (US) 1995-01-25 EP disclosed
US-5252608-A Preventing the abnormal deposition of collagen by administering a halogenated allyl amines MERRELL DOW PHARMACEUTICALS INC. (US) 1993-10-12 US disclosed
US-5182297-A Thienylhaloallylamines MERRELL DOW PHARMACEUTICALS INC. (US) 1993-01-26 US disclosed
US-5021456-A Administering to treat dieseases of abnormal deposition of collagen MERRELL DOW PHARMACEUTICALS INC. (US) 1991-06-04 US disclosed
US-4965288-A ABNORMAL COLLAGEN DEPOSITION MERRELL DOW PHARMACEUTICALS INC. (US) 1990-10-23 US disclosed
US-4943593-A Inhibitors of lysyl oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1990-07-24 US disclosed
CN-1035497-A The inhibitor of lysyloxidase MERRELL DOW PHARMA (US) 1989-09-13 CN disclosed
EP-0330218-A2 Inhibitors of lysyl oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1989-08-30 EP disclosed
EP-0067105-B1 ALLYL AMINE MAO INHIBITORS MERRELL DOW FRANCE ET CIE (FR) 1987-09-23 EP disclosed
US-4454158-A Allyl amine MAO inhibitors MERRELL TORAUDE ET COMPAGNIE (FR) 1984-06-12 US disclosed
EP-0067105-A2 Allyl amine MAO inhibitors MERRELL DOW FRANCE ET CIE (FR) 1982-12-15 EP disclosed