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Sugi Predict / Compounds / SCHEMBL19901362

SCHEMBL19901362

SCHEMBL19901362

CC(C)S(=O)(=O)NC(CC(N)=O)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 4/20 0.41
▸ CA2 P00918 4/20 0.33
▸ CA1 P00915 3/20 0.33
▸ GRIA1 P42261 3/20 0.32
▸ CA14 Q9ULX7 1/20 0.31
▸ CNR2 P34972 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
SCHEMBL19901363 1.00 ECE1 (0.41) ECE1CA2CA1GRIA1CA14
SCHEMBL19901361 1.00 ECE1 (0.41) ECE1CA2CA1GRIA1CA14
SCHEMBL18198006 0.91 ECE1 (0.37) ECE1CA2CA1GRIA1CA14
SCHEMBL18198002 0.91 ECE1 (0.37) ECE1CA2CA1GRIA1CA14
SCHEMBL18198015 0.91 ECE1 (0.37) ECE1CA2CA1GRIA1CA14
SCHEMBL18198033 0.87 ALDH1A1 (0.37) ECE1GRIA1CA14
SCHEMBL18198034 0.87 ALDH1A1 (0.37) ECE1GRIA1CA14
SCHEMBL18198029 0.87 ALDH1A1 (0.37) ECE1GRIA1CA14
SCHEMBL18198030 0.81 CNR2 (0.41) CA2CA1CNR2
SCHEMBL18198038 0.81 CNR2 (0.41) CA2CA1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902726-B2 Pyridone-sulfone morphinan analogs as opioid receptor ligands PURDUE PHARMA L.P. (US) 2018-02-27 — — US disclosed
US-9902726-B2 Pyridone-sulfone morphinan analogs as opioid receptor ligands PURDUE PHARMA L.P. (US) 2018-02-27 — — US disclosed