SCHEMBL8359306

SCHEMBL8359306

O=C(O)C=C1CCc2c(F)cc(Cl)cc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
LOX P28300 1/20 0.54
IDH1 O75874 7/20 0.37
NOTUM Q6P988 4/20 0.36
IDO1 P14902 1/20 0.35
HRH4 Q9H3N8 2/20 0.32
KMO O15229 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31

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
SCHEMBL8359296 1.00 MAOA (0.54) MAOAMAOBLOXIDH1NOTUM
SCHEMBL8359302 1.00 MAOA (0.54) MAOAMAOBLOXIDH1NOTUM
SCHEMBL8359301 0.88 MAOA (0.54) MAOAMAOBLOXNOTUMIDO1
SCHEMBL8359299 0.88 MAOA (0.54) MAOAMAOBLOXNOTUMIDO1
SCHEMBL8359304 0.88 MAOA (0.54) MAOAMAOBLOXNOTUMIDO1
SCHEMBL6754718 0.86 MAOA (0.73) MAOAMAOBLOXNOTUMIDO1
SCHEMBL6754717 0.86 MAOA (0.73) MAOAMAOBLOXNOTUMIDO1
SCHEMBL6754715 0.86 MAOA (0.73) MAOAMAOBLOXNOTUMIDO1
SCHEMBL7566326 0.84 MAOA (0.74) MAOAMAOBLOXNOTUMIDO1
SCHEMBL8361268 0.84 NOTUM (0.48) MAOAMAOBLOXIDH1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708033-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS OR ANALGESICS GLAXO WELLCOME INC. (US) 1998-01-13 US claimed
EP-0759026-A1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE THE WELLCOME FOUNDATION LIMITED (GB) 1997-02-26 EP claimed
WO-1995030645-A1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-16 WO claimed
EP-0759026-B1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE WELLCOME FOUND (GB) 1999-08-18 EP disclosed
US-5708033-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS OR ANALGESICS GLAXO WELLCOME INC. (US) 1998-01-13 US disclosed
EP-0759026-A1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE THE WELLCOME FOUNDATION LIMITED (GB) 1997-02-26 EP disclosed
WO-1995030645-A1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-16 WO disclosed