SCHEMBL18525702

SCHEMBL18525702

CN(C)C(=O)OCC(O)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.45
CHRNA4 P43681 5/20 0.45
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
NR1H3 Q13133 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 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
SCHEMBL2924441 0.84 HTT (0.48) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL17471841 0.78 CHRNB2 (0.42) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Carbamic Acid SCHEMBL17473082 0.77 HTT (0.42) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Phosphonic Acid SCHEMBL8154966 0.77 HTT (0.42) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL18525701 0.77 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL15139539 0.76 CHRNB2 (0.48) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL17092970 0.76 CHRNB2 (0.48) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL4574354 0.74 CHRNB2 (0.46) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL18525699 0.74 CHRNB2 (0.38) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL85841 0.73

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-2016161465-A9 FLUORINATED ALKALI ION ELECTROLYTES WITH URETHANE GROUPS SEEO, INC. (US) 2017-02-16 WO disclosed