SCHEMBL28038409

SCHEMBL28038409

CN(C(=O)OC1CCC(=O)CC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.49
CHRM1 P11229 6/20 0.49
CHRM4 P08173 4/20 0.49
CHRM5 P08912 3/20 0.49
CHRM2 P08172 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
BCHE P06276 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL27780541 0.87 CHRM3 (0.54) CHRM3CHRM1CHRM4CHRM5CHRM2
Hydrochloric Acid SCHEMBL28120286 0.84 PKM (0.56) CHRM3CHRM1CHRM4CHRM5CHRM2
SCHEMBL28038407 0.83 CHRM3 (0.50) CHRM3CHRM1CHRM4CHRM5CHRM2
SCHEMBL11034253 0.80 MAPT (0.52) CHRM3CHRM1CHRM4CHRM5CHRM2
SCHEMBL28997007 0.78 BCHE (0.36) CHRM3CHRM1CHRM4CHRM5CHRM2
SCHEMBL2312935 0.78 LMNA (0.49) PKMKMT2ALMNA
SCHEMBL27659177 0.76 CHRM3 (0.45) CHRM3CHRM1CHRM4CHRM5CHRM2
SCHEMBL27636857 0.75 MEN1 (0.48) CHRM3CHRM1CHRM2RAB9ASMN1; SMN2
SCHEMBL27928038 0.74 MAPT (0.50) CHRM3CHRM1CHRM4CHRM5KMT2A
SCHEMBL23064984 0.74 RAB9A (0.54) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106103435-B The purposes of azaindole acetogenin and they as prostaglandin D 2 receptor regulator 爱杜西亚药品有限公司 2018-11-16 CN disclosed
CN-106103435-A Azaindole acetogenin and they are as the purposes of prostaglandin D 2 receptor conditioning agent 埃科特莱茵药品有限公司 2016-11-09 CN disclosed
CN-105142639-A IRAK inhibitors and uses thereof NIMBUS IRIS INC 2015-12-09 CN disclosed