SCHEMBL28337704

SCHEMBL28337704

CCCN(C=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.47
CYP2C19 P33261 2/20 0.47
KCNH2 Q12809 4/20 0.45
KCNA5 P22460 3/20 0.45
KCNE1 P15382 1/20 0.42
CHRM2 P08172 3/20 0.41
ADRA2A P08913 3/20 0.41
DRD1 P21728 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
ALDH1A1 P00352 3/20 0.41
ADRA1A P35348 2/20 0.41
ADRA2B P18089 2/20 0.41
HTR2A P28223 2/20 0.41
HRH1 P35367 2/20 0.41
ADRA2C P18825 1/20 0.41
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL22660216 0.87 HDAC1 (0.43) CYP2D6CYP2C19KCNH2KCNA5CHRM2
SCHEMBL22048451 0.85 ALDH1A1 (0.46) CYP2D6CYP2C19KCNH2KCNA5KCNE1
SCHEMBL21457785 0.83 CYP2D6 (0.39) CYP2D6CYP2C19KCNH2KCNA5KCNE1
SCHEMBL7711638 0.80 HDAC6 (0.46) CYP2D6CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL28584939 0.80 CYP2D6 (0.41) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL6859239 0.78 FFAR4 (0.46) CYP2D6CYP2C19SLC6A3ALDH1A1ADRA1A
SCHEMBL7708661 0.78 LMNA (0.47) ALDH1A1SMN1; SMN2KDM4ELMNAMAPK1
SCHEMBL6446263 0.77 CYP2D6 (0.53) CYP2D6CYP2C19KCNH2KCNA5KCNE1
SCHEMBL229946 0.77 CYP2D6 (0.69) CYP2D6CYP2C19KCNH2KCNA5KCNE1
SCHEMBL30143833 0.77 CYP2D6 (0.69) CYP2D6CYP2C19KCNH2KCNA5KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115216281-A Reversible drilling fluid and preparation method and application thereof 西南石油大学 2022-10-21 CN claimed
CN-113292771-B Rubber plastic alloy for warm mixing and preparation method and application thereof 山东高速集团有限公司创新研究院 2022-07-26 CN claimed
CN-110586039-B Biomass adsorbent capable of being regenerated by illumination, and preparation method and application thereof 福州大学 2020-11-10 CN claimed
CN-110586039-A Biomass adsorbent capable of being regenerated by illumination, and preparation method and application thereof 福州大学 2019-12-20 CN claimed
CN-115677890-A Dendritic fluorescent liquid crystal polymer with aggregation-induced emission characteristic and preparation method thereof 湖南理工学院 2023-02-03 CN disclosed
CN-115305719-A Flame-retardant and smoke-inhibiting modified polyester fiber material and preparation method thereof 北京服装学院 2022-11-08 CN disclosed
CN-115216281-A Reversible drilling fluid and preparation method and application thereof 西南石油大学 2022-10-21 CN disclosed
CN-114790379-A Double-chamber microcapsule for drilling fluid and preparation method and application thereof 西南石油大学 2022-07-26 CN disclosed
CN-113292771-B Rubber plastic alloy for warm mixing and preparation method and application thereof 山东高速集团有限公司创新研究院 2022-07-26 CN disclosed
CN-113292771-A Rubber-plastic alloy for warm mixing and preparation method and application thereof 山东高速集团有限公司创新研究院 2021-08-24 CN disclosed
CN-110586039-B Biomass adsorbent capable of being regenerated by illumination, and preparation method and application thereof 福州大学 2020-11-10 CN disclosed
CN-110586039-A Biomass adsorbent capable of being regenerated by illumination, and preparation method and application thereof 福州大学 2019-12-20 CN disclosed