SCHEMBL28036718

SCHEMBL28036718

O=C=NC(N=C=O)C1(c2ccccc2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
HDAC4 P56524 2/20 0.41
AKR1C1 Q04828 1/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CYP2B6 P20813 1/20 0.37
PRCP P42785 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 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
SCHEMBL10785405 0.73 MAOA (0.37) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL27671441 0.71 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL13222778 0.71 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HDAC4AKR1C1
SCHEMBL6688093 0.71 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL9098569 0.71 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HDAC4AKR1C1
SCHEMBL26916818 0.70 AKR1C1 (0.41) SLC6A2SLC6A4SLC6A3HDAC4AKR1C1
Hydrogen Peroxide SCHEMBL11527807 0.69 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3HDAC4AKR1C1
SCHEMBL290754 0.69 HDAC4 (0.50) SLC6A2SLC6A4SLC6A3HDAC4AKR1C1
SCHEMBL27774530 0.69 HDAC4 (0.50) SLC6A2SLC6A4SLC6A3HDAC4AKR1C1
SCHEMBL1313846 0.68 AKR1C1 (0.42) SLC6A2SLC6A4SLC6A3HDAC4AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104024891-B For correcting the optical element of colour blindness 日东电工株式会社 2019-06-28 CN disclosed
CN-109476973-A Adhesive composition, laminate, and optical article using the laminate 株式会社德山 2019-03-15 CN disclosed
CN-105209936-A Optical element for correcting color blindness NITTO DENKO CORP 2015-12-30 CN disclosed
CN-103080269-B Photochromic composition TOKUYAMA CORP. (JP) 2015-12-16 CN disclosed