SCHEMBL8002677

SCHEMBL8002677

c1ccc(CO[C@@H]2CCCC[C@H]2NC2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.53
MAOB P27338 3/20 0.53
MAOA P21397 2/20 0.53
KCNA5 P22460 1/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
CISD1 Q9NZ45 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR1A P08908 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
MERTK Q12866 3/20 0.42
AXL P30530 2/20 0.42
MET P08581 1/20 0.42
TYRO3 Q06418 1/20 0.42

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
SCHEMBL8001931 0.84 MERTK (0.40) KDM1AMAOBMAOAKCNA5ADRB2
SCHEMBL10145444 0.77 KCNA5 (0.56) KCNA5ADRB2ADRB1MERTKAXL
SCHEMBL10145457 0.77 KCNA5 (0.56) KCNA5ADRB2ADRB1MERTKAXL
SCHEMBL12832833 0.77 KCNA5 (0.53) KCNA5ADRB2ADRB1MERTKAXL
SCHEMBL27701237 0.76 KCNA5 (0.53) KCNA5ADRB2ADRB1MERTKAXL
SCHEMBL21359781 0.75 PSEN1 (0.53) KCNA5
SCHEMBL18739483 0.74 KCNA5 (0.54) KCNA5ADRB2ADRB1MERTKAXL
SCHEMBL12667445 0.74 KCNA5 (0.54) KCNA5ADRB2ADRB1MERTKAXL
SCHEMBL12667447 0.74 KCNA5 (0.54) KCNA5ADRB2ADRB1MERTKAXL
SCHEMBL20024566 0.74 KCNA5 (0.54) KCNA5ADRB2ADRB1MERTKAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009108117-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 WO disclosed