SCHEMBL29262492

SCHEMBL29262492

C[C@H]1CN(C(=O)CC[C@@]2(c3nccn3C)NC(=O)NC2=O)CCc2ccc(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.49
▸ ADAM17 P78536 11/20 0.49
▸ MMP2 P08253 8/20 0.47
▸ MMP14 P50281 3/20 0.47
▸ ADAMTS4 O75173 2/20 0.47
▸ MMP1 P03956 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP7 P09237 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP13 P45452 1/20 0.45

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
SCHEMBL29262514 1.00 ADAMTS5 (0.49) ADAMTS5ADAM17MMP2MMP14ADAMTS4
SCHEMBL23745416 0.81 ADAMTS5 (0.61) ADAMTS5ADAM17MMP2MMP14ADAMTS4
SCHEMBL29262532 0.81 ADAMTS5 (0.51) ADAMTS5ADAM17MMP2ADAMTS4MMP1
SCHEMBL29262554 0.81 ADAMTS5 (0.51) ADAMTS5ADAM17MMP2ADAMTS4MMP1
SCHEMBL31121189 0.79 ADAMTS5 (0.64) ADAMTS5ADAM17MMP2MMP14ADAMTS4
SCHEMBL23745359 0.79 ADAMTS5 (0.64) ADAMTS5ADAM17MMP2MMP14ADAMTS4
SCHEMBL23745439 0.72 ADAMTS5 (0.53) ADAMTS5ADAM17MMP2MMP14ADAMTS4
SCHEMBL23728103 0.72 ADAMTS5 (0.53) ADAMTS5ADAM17MMP2MMP14ADAMTS4
SCHEMBL30899243 0.72 ADAMTS5 (0.53) ADAMTS5ADAM17MMP2MMP14ADAMTS4
SCHEMBL23745240 0.72 ADAMTS5 (0.53) ADAMTS5ADAM17MMP2MMP14ADAMTS4

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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