SCHEMBL29262510

SCHEMBL29262510

O=C1NC(=O)[C@](CCC(=O)N2CCc3ccccc3C2)(C2CC2)N1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.66
▸ MMP2 P08253 4/20 0.59
▸ MMP13 P45452 2/20 0.57
▸ ADAMTS4 O75173 1/20 0.57
▸ ADAMTS1 Q9UHI8 1/20 0.57
▸ ADAM17 P78536 1/20 0.56

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
SCHEMBL23745396 0.94 ADAMTS5 (0.72) ADAMTS5MMP2MMP13ADAMTS4ADAMTS1
SCHEMBL23745413 0.92 ADAMTS5 (0.69) ADAMTS5MMP2MMP13ADAMTS4ADAMTS1
SCHEMBL31121194 0.92 ADAMTS5 (0.69) ADAMTS5MMP2MMP13ADAMTS4ADAMTS1
SCHEMBL29835185 0.85 ADAMTS5 (0.54) ADAMTS5MMP2MMP13ADAMTS4ADAMTS1
SCHEMBL29250233 0.85 ADAMTS5 (0.54) ADAMTS5MMP2MMP13ADAMTS4ADAMTS1
SCHEMBL23745405 0.85 ADAMTS5 (0.54) ADAMTS5MMP2MMP13ADAMTS4ADAMTS1
SCHEMBL29835157 0.85 ADAMTS5 (0.54) ADAMTS5MMP2MMP13ADAMTS4ADAMTS1
SCHEMBL23745281 0.85 ADAMTS5 (0.62) ADAMTS5MMP2MMP13ADAMTS4ADAMTS1
SCHEMBL23745361 0.83 ADAMTS5 (0.69) ADAMTS5MMP2MMP13ADAMTS4ADAMTS1
SCHEMBL23745296 0.83 ADAMTS5 (0.68) ADAMTS5MMP2MMP13ADAMTS4ADAMTS1

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
CN-113754635-B Condensed ring compound and preparation method and application thereof 成都康弘药业集团股份有限公司 2024-06-21 — — CN disclosed
CN-113754635-A Fused ring compound and preparation method and application thereof 成都康弘药业集团股份有限公司 2021-12-07 — — CN disclosed
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