SCHEMBL10680087

SCHEMBL10680087

CCN1CCN(C(=O)N[C@H](CCC(N)=O)C(=O)NC2CNC2=O)C(=O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 8/20 0.36
▸ CTSL P07711 1/20 0.35
▸ OPRK1 P41145 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ SLC22A6 Q4U2R8 1/20 0.31
▸ SLC22A8 Q8TCC7 1/20 0.31
▸ SLC22A11 Q9NSA0 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL11397441 0.86 CTSL (0.35) NAAACTSLGAAL3MBTL1MAPT
SCHEMBL11408442 0.86 CTSL (0.37) NAAACTSLGAAL3MBTL1MAPT
SCHEMBL10553603 0.85 NAAA (0.35) NAAACTSLGAAL3MBTL1MAPT
SCHEMBL10550219 0.83 NAAA (0.37) NAAACTSLGAAL3MBTL1MAPT
SCHEMBL10546010 0.79 NAAA (0.45) NAAAGAAL3MBTL1
SCHEMBL10546313 0.78 TDP1 (0.33) NAAACTSLMAPTPDE3ASLC22A6
SCHEMBL10695608 0.77 MEN1 (0.46) NAAACTSLMAPTPDE3ASLC22A6
SCHEMBL10546296 0.76 TDP1 (0.33) CTSLMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10545315 0.76 MAPT (0.50) NAAACTSLOPRK1MAPTPDE3A
SCHEMBL10972386 0.76 NAAA (0.34) NAAACTSLGAAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4782147-A ANTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-01 — — US disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 — — US disclosed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 — — US disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 — — US disclosed
EP-0021678-B1 1-SULPHO-2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREOF Takeda Chemical Industries, Ltd. (JP) 1984-11-07 — — EP disclosed
EP-0021678-A1 1-Sulpho-2-oxoazetidine derivatives, their production and pharmaceutical compositions thereof Takeda Chemical Industries, Ltd. (JP) 1981-01-07 — — EP disclosed
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