SCHEMBL29065890

SCHEMBL29065890

COC(c1ccccc1)N1C=CN(C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.33
CYP2D6 P10635 3/20 0.33
CHRM2 P08172 3/20 0.33
ADRA2A P08913 3/20 0.33
CHRM1 P11229 3/20 0.33
DRD1 P21728 3/20 0.33
DRD3 P35462 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 3/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
ADRA1D P25100 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HRH1 P35367 2/20 0.33
HTR2B P41595 2/20 0.33
THRB P10828 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
SLC6A2 P23975 2/20 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
SCHEMBL20536090 0.70 CYP2D6 (0.54) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL4392254 0.67 CYP2D6 (0.45) OPRM1CYP2D6CHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL28921333 0.66
SCHEMBL12846188 0.63 CYP2D6 (0.56) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL20034096 0.63 CYP2D6 (0.56) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL10035306 0.63 CYP2D6 (0.56) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL852613 0.63 CYP2D6 (0.56) OPRM1CYP2D6CHRM2ADRA2ACHRM1
SCHEMBL10527232 0.63 MEN1 (0.59) CYP2D6SLC6A3KCNH2SLC6A2OPRD1
SCHEMBL7209211 0.62 L3MBTL1 (0.46) CHRM2CHRM1CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL8143809 0.62 CYP2D6 (0.54) OPRM1CYP2D6HRH1MC4ROPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624639-A Preparation method and preparation system of cellulose solution 山东中科恒联生物基材料有限公司 2024-03-01 CN disclosed
CN-117089937-A Natural polymer conductive fiber and preparation method and application thereof 中国科学院化学研究所 2023-11-21 CN disclosed
CN-116789990-A Biomass microsphere and preparation method and application thereof 中国科学院化学研究所 2023-09-22 CN disclosed
CN-116712787-A Recovery method and recovery device for solvent for preparing regenerated cellulose material 山东中科恒联生物基材料有限公司 2023-09-08 CN disclosed
CN-116284844-A Natural polymer micro-nano functional material and preparation method and application thereof 中国科学院化学研究所 2023-06-23 CN disclosed