SCHEMBL29040702

SCHEMBL29040702

N#[N+]CCOC(=O)CC(=O)OCC[N+]#N

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
FAAH O00519 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL28759043 0.87 MGAM (0.44) MGAMGAASIMGAM2FAAH
SCHEMBL29101713 0.81
SCHEMBL28871109 0.79 FAAH (0.33) FAAH
SCHEMBL29046078 0.78
SCHEMBL29066780 0.78 DGKA (0.45) ADRA2AADRA1A
SCHEMBL29066752 0.78 ADRA2A (0.30) ADRA2AADRA1A
SCHEMBL29234745 0.78 ATM (0.37) GAA
SCHEMBL29004726 0.75
SCHEMBL29234744 0.74
SCHEMBL822230 0.67 MGAM (0.48) MGAMGAASIMGAM2FAAH

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-118201921-A Lactams as CBL-B inhibitors selective for C-CBL 基因泰克公司 2024-06-14 CN disclosed
CN-112888696-B Exonuclease inhibitors and methods of use thereof 德琪医疗有限公司 2024-04-16 CN disclosed
CN-116507610-A Herbicidal malonamides 巴斯夫欧洲公司 2023-07-28 CN disclosed