SCHEMBL28409652

SCHEMBL28409652

CNS(=O)(=O)c1ccccc1.COC(=O)C(N)CCCNC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 2/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ LARS1 Q9P2J5 1/20 0.39
▸ BMP1 P13497 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ ITGB3 P05106 2/20 0.37
▸ ITGA2B P08514 2/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ POLB P06746 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
Arginine SCHEMBL28410966 0.90 LARS1 (0.41) TDP1LARS1ITGB3ITGA2BPOLB
SCHEMBL16553174 0.82 CA12 (0.38) NPY4RNPY1RLARS1CA1CA2
SCHEMBL28696189 0.82 NPY4R (0.40) NPY4RNPY1RCA1CA2CA12
SCHEMBL27734963 0.82 BMP1 (0.52) BMP1CA1CA2ITGB3ITGA2B
SCHEMBL25745545 0.81 MAPK1 (0.57) LARS1MAPK1
SCHEMBL2172217 0.80 NPY4R (0.45) NPY4RNPY1R
SCHEMBL157856 0.80 NPY4R (0.45) NPY4RNPY1R
SCHEMBL42488 0.80 NPY4R (0.45) NPY4RNPY1R
SCHEMBL28402442 0.79 NPY4R (0.41) NPY4RNPY1RCA1CA2CA12
Acetic Acid SCHEMBL29129249 0.79 NPY4R (0.43) NPY4RNPY1R

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-111269206-A Synthetic method and application of arginine derivative Bz-Arg-AMC 重庆医药高等专科学校 2020-06-12 — — CN disclosed
CN-111233973-A Synthesis method and application of arginine derivative Pro-Phe-Arg-AMC 重庆医药高等专科学校 2020-06-05 — — CN disclosed
CN-111196838-A Synthesis method and application of arginine derivative Cbz-Phe-Arg-AMC 重庆医药高等专科学校 2020-05-26 — — CN disclosed
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