SCHEMBL28811798

SCHEMBL28811798

CCCCOC(=O)C1CC1c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
RAB9A P51151 1/20 0.42
HTR7 P34969 1/20 0.41
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL9721781 0.86 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19403863 0.85 SLC9A1 (0.50) SLC9A1MAPTL3MBTL1HRH3SLC6A3
SCHEMBL14708134 0.85 SLC9A1 (0.50) SLC9A1MAPTL3MBTL1HRH3SLC6A3
SCHEMBL4140532 0.85 SLC9A1 (0.50) SLC9A1MAPTL3MBTL1HRH3SLC6A3
SCHEMBL20525002 0.85 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15241291 0.81 RAB9A (0.54) MAPTL3MBTL1RAB9A
SCHEMBL6691356 0.80 PDE4A (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6698171 0.80 PDE4A (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6691364 0.80 PDE4A (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6698173 0.80 PDE4A (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3

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
CN-103781763-A Amine derivatives as potassium channel blockers BIONOMICS LTD 2014-05-07 CN disclosed