SCHEMBL2635346

SCHEMBL2635346

CC(C)(C)OC(=O)C(N)CN[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPY4R P50391 8/20 0.37
▸ NPY1R P25929 5/20 0.37
▸ NPY2R P49146 3/20 0.35
▸ NPY5R Q15761 3/20 0.35
▸ NOD1 Q9Y239 2/20 0.34
▸ C3AR1 Q16581 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ NOS1 P29475 2/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS2 P35228 1/20 0.32

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
SCHEMBL604855 0.83 MEN1 (0.45) MEN1GAAKMT2ANPY4RNPY1R
SCHEMBL604856 0.83 MEN1 (0.45) MEN1GAAKMT2ANPY4RNPY1R
SCHEMBL8975661 0.83 MEN1 (0.45) MEN1GAAKMT2ANPY4RNPY1R
Hydrochloric Acid SCHEMBL29398231 0.82 MEN1 (0.44) MEN1GAAKMT2ANPY4RNPY1R
Hydrochloric Acid SCHEMBL8376792 0.82 MEN1 (0.44) MEN1GAAKMT2ANPY4RNPY1R
Hydrochloric Acid SCHEMBL27482850 0.82 MEN1 (0.44) MEN1GAAKMT2ANPY4RNPY1R
SCHEMBL2635341 0.81 MEN1 (0.59) MEN1GAAKMT2AMAOAMAOB
SCHEMBL27484588 0.81 MEN1 (0.40) MEN1GAAKMT2ANPY4RNPY1R
SCHEMBL27484587 0.81 MEN1 (0.40) MEN1GAAKMT2ANPY4RNPY1R
SCHEMBL2635343 0.81 MEN1 (0.59) MEN1GAAKMT2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011143540-A1 UNIFORM, FUNCTIONALIZED, CROSS-LINKED NANOSTRUCTURES FOR MONITORING pH MALLINCKRODT LLC (US) 2011-11-17 — — WO disclosed
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