SCHEMBL28274752

SCHEMBL28274752

O=Cc1c(Br)cccc1N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.47
ADRB1 P08588 5/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
NCF1 P14598 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR7 P34969 1/20 0.46
MTOR P42345 1/20 0.46
HTR3A P46098 1/20 0.46
HTR5A P47898 1/20 0.46
HTR3D Q70Z44 1/20 0.46

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
SCHEMBL28168447 0.85 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL30936843 0.85 ALDH1A1 (0.40) KDM4EALDH1A1
SCHEMBL29058043 0.83 HTR6 (0.52) HTR6ADRB1HTR1AHTR2AHTR3E
SCHEMBL7582175 0.78 HTR6 (0.54) HTR6ADRB1DRD2DRD3HTR1A
SCHEMBL30796378 0.77 EPHX2 (0.51) HTR6ADRB1DRD2DRD3HTR1A
SCHEMBL29446041 0.77 HTR6 (0.62) HTR6ADRB1DRD2DRD3HTR1A
SCHEMBL232830 0.77 HTR6 (0.62) HTR6ADRB1DRD2DRD3HTR1A
SCHEMBL10677139 0.77 HTR6 (0.62) HTR6ADRB1DRD2DRD3HTR1A
SCHEMBL29057978 0.77 HTR6 (0.58) HTR6DRD2HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL27845681 0.75 HTR6 (0.61) HTR6ADRB1DRD2DRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384723-A A kind of cysteine feed addictive and preparation method thereof 河南湾流生物科技有限公司 2019-02-26 CN claimed
CN-110117264-B Phenyl sulfone derivative and application thereof in medicines 广东东阳光药业有限公司 2023-06-09 CN disclosed
CN-109384723-A A kind of cysteine feed addictive and preparation method thereof 河南湾流生物科技有限公司 2019-02-26 CN disclosed