SCHEMBL8556611

SCHEMBL8556611

O=C1CCCc2c[c]ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
NPC1 O15118 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
CRBN Q96SW2 1/20 0.41
KIF11 P52732 4/20 0.38
PKM P14618 2/20 0.36
IDO1 P14902 1/20 0.36
AHR P35869 2/20 0.36
PDK2 Q15119 1/20 0.36
GSK3B P49841 1/20 0.35
CA9 Q16790 1/20 0.35
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL986343 0.89 NPC1 (0.55) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL1450276 0.86 MAPT (0.58) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL443143 0.79 AHR (0.53) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL910409 0.74 NPC1 (0.55) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL3357269 0.74 CRBN (0.39) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL518954 0.73 MAPT (1.00) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL3352150 0.72 CYP11B1 (0.31) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL19639065 0.71 CRBN (0.41) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL615272 0.70 NPC1 (0.50) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL9210543 0.70 CYP1A2 (0.39) MAPTNPC1KIF11MAPK1MEN1

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