SCHEMBL3634320

SCHEMBL3634320

NC(=O)CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.59
FFAR1 O14842 4/20 0.55
TAAR1 Q96RJ0 1/20 0.52
KIF11 P52732 5/20 0.51
PDPK1 O15530 1/20 0.49
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
FDFT1 P37268 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
NR3C2 P08235 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45

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
SCHEMBL2316007 0.95 TAAR1 (0.57) MAOBFFAR1TAAR1PDPK1PLAAT3
Trifluoroacetic Acid SCHEMBL4788988 0.94 MAOB (0.53) MAOBFFAR1TAAR1KIF11PDPK1
Cadaverine Tartrate SCHEMBL3634787 0.90 MAOB (0.49) MAOBFFAR1TAAR1KIF11PDPK1
SCHEMBL934147 0.86 HDAC1 (0.57) MAOBFFAR1TAAR1PDPK1PLAAT3
SCHEMBL28155932 0.85 AGXT (0.57) MAOBFFAR1KIF11
SCHEMBL25138775 0.84 HDAC1 (0.59) MAOBFFAR1TAAR1PDPK1PLAAT3
Hydrochloric Acid SCHEMBL30882461 0.84 HDAC1 (0.55) MAOBFFAR1TAAR1PDPK1PLAAT3
SCHEMBL934424 0.83 HDAC1 (0.58) MAOBFFAR1TAAR1PDPK1HDAC1
SCHEMBL2653307 0.83 MAOB (0.54) MAOBFFAR1TAAR1KIF11PDPK1
SCHEMBL12809279 0.82 RXRA (0.56) MAOBKIF11HDAC1HDAC8PSEN1

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
CN-105748480-A Methods of treatment of skin ulcers 宾夕法尼亚大学理事会 2016-07-13 CN claimed
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP claimed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 WO claimed
EP-2651403-A2 USE OF LP-PLA2 INHIBITORS IN THE TREATMENT AND PREVENTION OF EYE DISEASES Glaxo Group Limited (GB) 2013-10-23 EP disclosed
WO-2012080497-A2 METHODS OF TREATMENT AND PREVENTION OF EYE DISEASES GLAXO GROUP LIMITED (GB) 2012-06-21 WO disclosed
EP-2155225-A1 METHODS OF TREATMENT OF SKIN ULCERS The Trustees of the University of Pennsylvania (US) 2010-02-24 EP disclosed
EP-2152865-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2010-02-17 EP disclosed
WO-2008140449-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 WO disclosed
WO-2008140450-A1 METHODS OF TREATMENT AND PREVENTION OF METABOLIC BONE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 WO disclosed
WO-2008141176-A1 METHODS OF TREATMENT OF SKIN ULCERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-11-20 WO disclosed