SCHEMBL29233121

SCHEMBL29233121

CCCOC(=O)[C@@H](N)CCCCN.N=C=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.44
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
DPP7 Q9UHL4 8/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
TLR2 O60603 2/20 0.40
CPB2 Q96IY4 2/20 0.39
NOD1 Q9Y239 1/20 0.37
DPP4 P27487 3/20 0.35
ERAP2 Q6P179 2/20 0.33
LNPEP Q9UIQ6 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33

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
SCHEMBL28284269 1.00 GSR (0.44) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL16893986 1.00 GSR (0.44) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL25173868 0.92 GNAI3 (0.46) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL28284288 0.92 GNAI3 (0.46) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL29233072 0.92 GNAI3 (0.46) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL6432150 0.92 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL5670259 0.92 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL29233108 0.91 GNAI3 (0.48) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL25173617 0.91 GNAI3 (0.48) GSRGNAI3GNAO1GNAI1DPP7
Hydrochloric Acid SCHEMBL5846878 0.90 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed