SCHEMBL27839773

SCHEMBL27839773

CC(c1ccccc1)N1C=CN(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
MC4R P32245 1/20 0.47
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD1 P21728 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL12846188 0.88 CYP2D6 (0.56) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL20034096 0.88 CYP2D6 (0.56) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL10035306 0.88 CYP2D6 (0.56) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL852613 0.88 CYP2D6 (0.56) CYP2D6MC4ROPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL8143809 0.86 CYP2D6 (0.54) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL27681772 0.77 OPRM1 (0.41) MC4ROPRM1OPRD1OPRK1OPRL1
SCHEMBL29065890 0.77 OPRM1 (0.33) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL15175904 0.75 CYP2D6 (0.43) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL28072043 0.75 L3MBTL1 (0.43) CYP2D6OPRM1OPRL1CHRM2CHRM1
SCHEMBL28811172 0.75 CHRM2 (0.40) CYP2D6CHRM2CHRM1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015960-B Composition comprising photochromic dyes in ionic solvents ESSILOR INT 2014-11-19 CN claimed
CN-102015960-A Composition comprising photochromic dyes in ionic solvents ESSILOR INT 2011-04-13 CN claimed
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
CN-102015960-B Composition comprising photochromic dyes in ionic solvents ESSILOR INT 2014-11-19 CN disclosed
CN-102015960-A Composition comprising photochromic dyes in ionic solvents ESSILOR INT 2011-04-13 CN disclosed