SCHEMBL30476594

SCHEMBL30476594

COC(=O)[C@H]1C[C@@H](N=[N+]=[N-])CN1C(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 13/20 1.00
▸ ANPEP P15144 8/20 1.00
▸ DPP4 P27487 3/20 0.37
▸ DPP8 Q6V1X1 3/20 0.37
▸ DPP9 Q86TI2 3/20 0.37
▸ DPP7 Q9UHL4 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL16171927 1.00 MMP2 (1.00) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL14941114 0.88 MMP2 (0.79) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL30370233 0.88 MMP2 (0.79) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL29591658 0.83 MMP2 (0.71) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL16171925 0.83 MMP2 (0.71) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL13494285 0.82 MMP2 (0.70) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL13768839 0.82 MMP2 (0.70) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL20215871 0.82 MMP2 (0.70) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL13841888 0.82 MMP2 (0.70) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL15482322 0.82 MMP2 (0.70) MMP2ANPEPDPP4DPP8DPP9

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-116354862-A Substituted azacyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 — — CN disclosed
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