SCHEMBL28836804

SCHEMBL28836804

CC(=O)ON1CCCC1CN

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.32
PNP P00491 1/20 0.32
XPNPEP1 Q9NQW7 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNA5 P30532 1/20 0.31
CHRNA7 P36544 1/20 0.31
DPP4 P27487 1/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL28112857 0.95 HTT (0.32) L3MBTL1POLBHTTALDH1A1
SCHEMBL28113438 0.95 HTT (0.32) L3MBTL1POLBHTTALDH1A1
SCHEMBL28112847 0.81 CYP1A2 (0.31)
SCHEMBL27993431 0.81 HTT (0.37) L3MBTL1POLBHTTDPP4
SCHEMBL29286313 0.81 HTT (0.37) L3MBTL1POLBHTTDPP4
SCHEMBL28068309 0.81 HTT (0.37) L3MBTL1POLBHTTDPP4
SCHEMBL18952939 0.81 L3MBTL1 (0.34) L3MBTL1POLBCHRNB2CHRNA4CHRNA5
SCHEMBL3952875 0.79 HTT (0.35) L3MBTL1POLBHTTCHRNB2CHRNA4
SCHEMBL3956320 0.79 HTT (0.35) L3MBTL1POLBHTTCHRNB2CHRNA4
SCHEMBL7704576 0.79 MAPT (0.38) ALDH1A1RAB9ATSHR

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-106188027-A Heteroaromatic analog derivative and the application in medicine thereof 广东东阳光药业有限公司 2016-12-07 CN disclosed