SCHEMBL8557738

SCHEMBL8557738

C#CCN1C(=O)CCc2c[c]ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
ATAD2 Q6PL18 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
DRD2 P14416 9/20 0.34
DRD4 P21917 9/20 0.34
DRD3 P35462 9/20 0.34
CHRM2 P08172 6/20 0.34
CHRM4 P08173 6/20 0.34
CHRM5 P08912 6/20 0.34
CHRM1 P11229 6/20 0.34
CHRM3 P20309 6/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32

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
SCHEMBL8553992 0.80 ATAD2 (0.55) POLBATAD2DRD2DRD4DRD3
SCHEMBL11195613 0.79 DRD2 (0.47) POLBATAD2DRD2DRD4DRD3
SCHEMBL9378395 0.78 POLB (0.59) POLBMAOAMAOBDRD2DRD4
SCHEMBL8556637 0.77 POLB (0.37) POLBATAD2DRD2DRD4DRD3
SCHEMBL6233920 0.75 MAPT (0.38) POLBATAD2DRD2DRD4DRD3
SCHEMBL6712978 0.74 DRD2 (0.43) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL6714706 0.72 LMNA (0.43) POLBHDAC1HDAC8HDAC6
SCHEMBL6235136 0.71 ALDH1A1 (0.38) ATAD2DRD2DRD4DRD3CHRM2
SCHEMBL6715173 0.71 MEN1 (0.47) POLBATAD2DRD2DRD4DRD3
SCHEMBL6238530 0.71 NOTUM (0.40) DRD2DRD4DRD3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP claimed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US claimed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO claimed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP claimed
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP disclosed
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP disclosed