SCHEMBL28623853

SCHEMBL28623853

CC(CN)CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2A P28223 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
CNR2 P34972 1/20 0.42
TAAR1 Q96RJ0 5/20 0.41
MAOA P21397 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41

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
SCHEMBL16461564 0.82 CARM1 (0.43) AOC3CARM1PRMT6PRMT8TSHR
SCHEMBL14397661 0.81 TRPA1 (0.46) AOC3TSHRALDH1A1SLC6A2SLC6A4
SCHEMBL14085920 0.80 SLC6A2 (0.54) AOC3CARM1PRMT6PRMT8TSHR
SCHEMBL1839568 0.80 SLC6A2 (0.54) AOC3CARM1PRMT6PRMT8TSHR
SCHEMBL1839564 0.80 SLC6A2 (0.54) AOC3CARM1PRMT6PRMT8TSHR
SCHEMBL14006363 0.79 BCHE (0.51) AOC3TSHRALDH1A1SLC6A2SLC6A4
SCHEMBL13840039 0.77 POLB (0.49) AOC3CARM1PRMT6PRMT8TSHR
SCHEMBL29057663 0.77 AOC3 (0.41) AOC3CARM1PRMT6PRMT8TSHR
SCHEMBL9131611 0.77 MEN1 (0.47) MEN1KMT2A
SCHEMBL12881356 0.76 TSHR (0.46) AOC3TSHRALDH1A1SLC6A2SLC6A4

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-109072006-B Composition for forming dense silica membrane AZ电子材料(卢森堡)有限公司 2021-07-27 CN disclosed