SCHEMBL28346709

SCHEMBL28346709

CC(C)CCCCCCCCCCC1C=Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
SIGMAR1 Q99720 6/20 0.36
KDM4E B2RXH2 2/20 0.36
HTR2A P28223 2/20 0.36
NFKB1 P19838 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 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
SCHEMBL5039135 0.94 HTR6 (0.44) HTR6SIGMAR1KDM4EHTR2ANFKB1
SCHEMBL671513 0.87 HTR6 (0.46) HTR6SIGMAR1KDM4EHTR2ANFKB1
SCHEMBL6675770 0.87 HTR6 (0.51) HTR6SIGMAR1KDM4EHTR2ANFKB1
SCHEMBL6675371 0.87 HTR6 (0.51) HTR6SIGMAR1KDM4EHTR2ANFKB1
SCHEMBL6673091 0.85 HTR6 (0.53) HTR6SIGMAR1KDM4EHTR2ANFKB1
SCHEMBL10359804 0.82 HTR6 (0.45) HTR6SIGMAR1KDM4EHTR2ANFKB1
SCHEMBL6055948 0.82 HTR6 (0.45) HTR6SIGMAR1KDM4EHTR2ANFKB1
SCHEMBL6674209 0.82 HTR6 (0.45) HTR6SIGMAR1KDM4EHTR2ANFKB1
SCHEMBL31185871 0.82 HTR6 (0.45) HTR6SIGMAR1KDM4EHTR2ANFKB1
SCHEMBL30679045 0.82 HTR6 (0.45) HTR6SIGMAR1KDM4EHTR2ANFKB1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916767-A Indenonazanaphthalenes 默克专利有限公司 2023-04-04 CN disclosed
CN-115916794-A Heterocyclic compounds for organic electroluminescent devices 默克专利有限公司 2023-04-04 CN disclosed
CN-107635987-B Material for organic electroluminescent device 默克专利有限公司 2023-01-03 CN disclosed
CN-115244728-A Use of sulfone compounds in organic electronic devices 默克专利有限公司 2022-10-25 CN disclosed
CN-115244723-A Organic electroluminescent device 默克专利有限公司 2022-10-25 CN disclosed
CN-115210234-A Material for electronic devices 默克专利有限公司 2022-10-18 CN disclosed
CN-112521343-B Organic electroluminescent material and device thereof 北京八亿时空液晶科技股份有限公司 2022-10-14 CN disclosed
CN-115135741-A Use of heterocyclic compounds in organic electronic devices 默克专利有限公司 2022-09-30 CN disclosed
CN-114957094-A Polysubstituted carbazole derivative and application thereof 北京八亿时空液晶科技股份有限公司 2022-08-30 CN disclosed
CN-110483574-B Fluorene spirophenyl tricarbazole derivative, preparation method and application thereof, and electronic device 苏州大学 2022-08-02 CN disclosed
CN-112739795-A Compounds useful as active compounds in organic electronic devices 默克专利有限公司 2021-04-30 CN disclosed
CN-112166112-A Composition for organic electronic device 默克专利有限公司 2021-01-01 CN disclosed
CN-111479811-A Heterocyclic compounds for electronic devices 默克专利有限公司 2020-07-31 CN disclosed
CN-111430557-A Organic electroluminescent device 默克专利有限公司 2020-07-17 CN disclosed
CN-111406062-A Metal complexes 默克专利有限公司 2020-07-10 CN disclosed
CN-111065640-A Material for organic electroluminescent device 默克专利有限公司 2020-04-24 CN disclosed
CN-110832053-A Composition for organic electronic device 默克专利有限公司 2020-02-21 CN disclosed
CN-110799484-A Material for electronic devices 默克专利有限公司 2020-02-14 CN disclosed
CN-110799506-A Process for preparing substituted nitrogen-containing heterocyclic compounds 默克专利有限公司 2020-02-14 CN disclosed
CN-110637017-A Hexacyclo heteroaromatic compounds for electronic devices 默克专利有限公司 2019-12-31 CN disclosed