SCHEMBL28406173

SCHEMBL28406173

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ NPY4R P50391 10/20 0.37
▸ NPY1R P25929 7/20 0.37
▸ SIRT5 Q9NXA8 2/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ALB P02768 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ NPY2R P49146 5/20 0.34
▸ NPY5R Q15761 5/20 0.34
▸ FOLH1 Q04609 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GNPAT O15228 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL2390736 0.88 NPY4R (0.44) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL5807981 0.88 NPY4R (0.44) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL4314216 0.88 SIRT6 (0.52) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL160845 0.87 ALOX15 (0.36) SIRT6SIRT1NPY4RNPY1RALOX15
Hydrochloric Acid SCHEMBL11506342 0.87 NPY4R (0.44) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL5812127 0.86 SIRT6 (0.43) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL5812133 0.86 SIRT6 (0.43) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL5814337 0.84 SIRT6 (0.39) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL6366187 0.84 NPY4R (0.34) SIRT6SIRT1NPY4RNPY1RALOX15
SCHEMBL5814333 0.84 SIRT6 (0.39) SIRT6SIRT1NPY4RNPY1RSIRT5

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
CN-111107878-A Methods of treatment using amphetamine prodrugs 夏尔制药公司 2020-05-05 — — CN disclosed
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