SCHEMBL23745389

SCHEMBL23745389

C[C@H]1CN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCc2ccc(Cl)c(F)c21

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.62
▸ MMP2 P08253 5/20 0.62
▸ MMP13 P45452 2/20 0.59
▸ MMP14 P50281 2/20 0.59
▸ ADAMTS4 O75173 2/20 0.56
▸ 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
SCHEMBL23745397 1.00 ADAMTS5 (0.62) ADAMTS5MMP2MMP13MMP14ADAMTS4
SCHEMBL30012317 1.00 ADAMTS5 (0.62) ADAMTS5MMP2MMP13MMP14ADAMTS4
SCHEMBL31121178 1.00 ADAMTS5 (0.62) ADAMTS5MMP2MMP13MMP14ADAMTS4
SCHEMBL23728027 1.00 ADAMTS5 (0.62) ADAMTS5MMP2MMP13MMP14ADAMTS4
SCHEMBL31121193 1.00 ADAMTS5 (0.62) ADAMTS5MMP2MMP13MMP14ADAMTS4
SCHEMBL23745337 1.00 ADAMTS5 (0.62) ADAMTS5MMP2MMP13MMP14ADAMTS4
SCHEMBL23745334 0.92 ADAMTS5 (0.62) ADAMTS5MMP2MMP13MMP14ADAMTS4
SCHEMBL23745254 0.92 ADAMTS5 (0.62) ADAMTS5MMP2MMP13MMP14ADAMTS4
SCHEMBL23745333 0.92 ADAMTS5 (0.62) ADAMTS5MMP2MMP13MMP14ADAMTS4
SCHEMBL23745393 0.88 ADAMTS5 (0.47) ADAMTS5MMP2MMP13MMP14ADAMTS4

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
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 — — WO disclosed
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