SCHEMBL9325445

SCHEMBL9325445

C=CCN1CCN(CCN)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.62
ACE2 Q9BYF1 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MAPT P10636 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAD52 P43351 1/20 0.35
OPRD1 P41143 1/20 0.34
NPC1 O15118 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
SCHEMBL6248521 0.86 KEAP1 (0.48) ALOX15ACE2SIGMAR1
SCHEMBL327601 0.82 OPRD1 (0.41) SIGMAR1MAPTHRH3ADRA2AADRA2B
SCHEMBL3970107 0.82 OPRD1 (0.41) SIGMAR1MAPTHRH3ADRA2AADRA2B
SCHEMBL290880 0.82
SCHEMBL6692977 0.82 OPRD1 (0.41) SIGMAR1MAPTHRH3ADRA2AADRA2B
Bromide SCHEMBL7969410 0.79 OPRD1 (0.40) SIGMAR1MAPTHRH3ADRA2AADRA2B
SCHEMBL242967 0.79
SCHEMBL179843 0.79 ALOX15 (1.00) ALOX15ACE2SIGMAR1ALDH1A1
SCHEMBL3975418 0.79 ALOX15 (1.00) ALOX15ACE2SIGMAR1ALDH1A1
SCHEMBL23926935 0.76 ALOX15 (0.62) ALOX15ACE2SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112062965-B Long-chain alkyl and zwitterion co-modified antibacterial silicone oil emulsion and preparation method thereof 浙江恒业成有机硅有限公司 2022-10-04 CN claimed
CN-112062965-A Long-chain alkyl and zwitterion co-modified antibacterial silicone oil emulsion and preparation method thereof 浙江恒业成有机硅有限公司 2020-12-11 CN claimed
US-5352334-A The use of metal-free sulfo group free basic disazo compounds containing two identical 6-hydroxypyrid-2-one coupling component radicals for producing colored paper SANDOZ LTD. (CH) 1994-10-04 US claimed
CN-112062965-B Long-chain alkyl and zwitterion co-modified antibacterial silicone oil emulsion and preparation method thereof 浙江恒业成有机硅有限公司 2022-10-04 CN disclosed
CN-111978548-B Long-chain alkyl and zwitter-ion co-modified silicone oil and preparation method thereof 浙江恒业成有机硅有限公司 2022-05-17 CN disclosed
CN-112062965-A Long-chain alkyl and zwitterion co-modified antibacterial silicone oil emulsion and preparation method thereof 浙江恒业成有机硅有限公司 2020-12-11 CN disclosed
CN-111978548-A Long-chain alkyl and zwitter-ion co-modified silicone oil and preparation method thereof 浙江恒业成有机硅有限公司 2020-11-24 CN disclosed
US-5352334-A The use of metal-free sulfo group free basic disazo compounds containing two identical 6-hydroxypyrid-2-one coupling component radicals for producing colored paper SANDOZ LTD. (CH) 1994-10-04 US disclosed