SCHEMBL28402442

SCHEMBL28402442

COC(=O)C(N)CCCNC(=N)N.Cc1ccccc1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 5/20 0.41
▸ NPY1R P25929 3/20 0.41
▸ CA1 P00915 11/20 0.38
▸ CA2 P00918 11/20 0.38
▸ CA9 Q16790 8/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA12 O43570 6/20 0.38
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HTR2B P41595 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
SCHEMBL1700935 0.80 RECQL (0.47) NPY4RNPY1RSLC1A3SLC1A2SLC1A1
SCHEMBL27412426 0.80 RECQL (0.47) NPY4RNPY1RSLC1A3SLC1A2SLC1A1
Arginine SCHEMBL956653 0.80 SLC1A3 (0.42) NPY4RNPY1RSLC1A3SLC1A2SLC1A1
SCHEMBL2172217 0.79 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RMEN1
SCHEMBL157856 0.79 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RMEN1
SCHEMBL42488 0.79 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RMEN1
SCHEMBL28409652 0.79 NPY4R (0.41) NPY4RNPY1RCA1CA2CA9
Hydrochloric Acid SCHEMBL866931 0.78 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RMEN1
SCHEMBL2236129 0.78 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RMEN1
Hydrochloric Acid SCHEMBL940539 0.78 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RMEN1

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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