SCHEMBL23745215

SCHEMBL23745215

COc1cc2c(cc1Cl)CN(C(=O)CC[C@@]1(C3CC3)NC(=O)NC1=O)C2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.58
▸ ADAMTS4 O75173 8/20 0.58
▸ ADAM17 P78536 3/20 0.56
▸ MMP2 P08253 3/20 0.53
▸ MMP13 P45452 3/20 0.53
▸ ADAMTS1 Q9UHI8 1/20 0.53
▸ MMP1 P03956 1/20 0.53
▸ MMP12 P39900 1/20 0.53
▸ MMP14 P50281 1/20 0.53

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
SCHEMBL29250271 1.00 ADAMTS5 (0.58) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL29835207 1.00 ADAMTS5 (0.58) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL29835187 0.90 ADAMTS5 (0.65) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL23727487 0.90 ADAMTS5 (0.65) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL23727486 0.90 ADAMTS5 (0.65) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL23745216 0.87 ADAMTS5 (0.61) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL29250263 0.87 ADAMTS5 (0.61) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL29835148 0.87 ADAMTS5 (0.61) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL23745236 0.85 ADAMTS5 (0.59) ADAMTS5ADAMTS4ADAM17MMP2MMP13
SCHEMBL23745241 0.85 ADAMTS5 (0.59) ADAMTS5ADAMTS4ADAM17MMP2MMP13

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-115052596-B ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-14 — — CN disclosed
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 — — WO disclosed
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