SCHEMBL8551060

SCHEMBL8551060

COc1cc(OC(C)[C@@H]2CCN2)cnc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
ALK Q9UM73 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SYK P43405 1/20 0.31
KCNH2 Q12809 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
SCHEMBL8550718 1.00 MEN1 (0.33) MEN1KMT2AIRAK4ALKCHRNB2
SCHEMBL8554334 0.94 MEN1 (0.39) MEN1KMT2AIRAK4SLC6A2SLC6A4
SCHEMBL8551051 0.87 ADRA2A (0.33) ALKSLC6A2SLC6A4
SCHEMBL8551464 0.85
SCHEMBL8553260 0.85
SCHEMBL8671400 0.83
SCHEMBL8619125 0.83 SLC6A2 (0.34) MEN1KMT2ACHRNB2CHRNA4SLC6A2
SCHEMBL8622165 0.83 SLC6A2 (0.34) MEN1KMT2ACHRNB2CHRNA4SLC6A2
SCHEMBL8616694 0.81 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL8508196 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846114-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-06-10 EP claimed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 WO claimed