SCHEMBL28143108

SCHEMBL28143108

C1=C(CN2CCCCC2)OC(c2ccccc2)(C2CCCCC2)O1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.38
CHRM3 P20309 7/20 0.38
DRD2 P14416 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
APP P05067 1/20 0.33
CTSD P07339 1/20 0.33

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
SCHEMBL28843857 0.81 GRIN1 (0.36) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL11259848 0.69 HTR1A (0.49) CHRM2CHRM3SIGMAR1CHRM4CHRM5
Hydrochloric Acid SCHEMBL29449197 0.68 HTR1A (0.48) CHRM2CHRM3SIGMAR1CHRM4CHRM5
SCHEMBL14039627 0.62 CHRM2 (0.43) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL10807843 0.62 GAA (0.49) CHRM2CHRM3SIGMAR1CHRM4CHRM5
SCHEMBL28412112 0.61 BACE1 (0.40) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL11132996 0.61 HRH3 (0.52) ALDH1A1
SCHEMBL15571396 0.61 ALDH1A1 (0.39) CHRM2CHRM3SIGMAR1CHRM4CHRM5
SCHEMBL27504305 0.60 GRIN1 (0.39) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL27721335 0.59 GRIN1 (0.44) CHRM2CHRM3CHRM4CHRM5CHRM1

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-106560469-A High-yield oxapium iodide preparation method 平光制药股份有限公司 2017-04-12 CN disclosed