SCHEMBL8556637

SCHEMBL8556637

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ATAD2 Q6PL18 1/20 0.35
CHRM2 P08172 7/20 0.34
CHRM4 P08173 7/20 0.34
CHRM5 P08912 7/20 0.34
CHRM1 P11229 7/20 0.34
DRD2 P14416 7/20 0.34
CHRM3 P20309 7/20 0.34
DRD4 P21917 7/20 0.34
DRD3 P35462 7/20 0.34
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
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
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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) POLBATAD2CHRM2CHRM4CHRM5
SCHEMBL11195613 0.79 DRD2 (0.47) POLBATAD2CHRM2CHRM4CHRM5
SCHEMBL8224822 0.78 POLB (0.59) POLBCHRM2CHRM4CHRM5CHRM1
SCHEMBL8557738 0.77 POLB (0.37) POLBATAD2CHRM2CHRM4CHRM5
SCHEMBL6233920 0.75 MAPT (0.38) POLBATAD2DRD2DRD4DRD3
SCHEMBL6712978 0.74 DRD2 (0.43) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL436376 0.73 ATAD2 (0.48) POLBATAD2RAB9AALDH1A1SMN1; SMN2
SCHEMBL11061547 0.73 ATAD2 (0.44) POLBATAD2CYP1A2HDAC1HDAC8
SCHEMBL20335483 0.73 ATAD2 (0.67) POLBATAD2CHRM1RAB9AALDH1A1
SCHEMBL6714706 0.72 LMNA (0.43) POLBALDH1A1HDAC1HDAC8HDAC6

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