SCHEMBL23745359

SCHEMBL23745359

C[C@H]1CN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCc2ccc(Cl)cc21

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.64
▸ ADAM17 P78536 4/20 0.63
▸ ADAMTS4 O75173 3/20 0.63
▸ MMP1 P03956 1/20 0.61
▸ MMP12 P39900 1/20 0.61
▸ MMP2 P08253 5/20 0.61
▸ MMP13 P45452 2/20 0.59
▸ ADAMTS1 Q9UHI8 1/20 0.59
▸ MMP14 P50281 1/20 0.59

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
SCHEMBL31121189 1.00 ADAMTS5 (0.64) ADAMTS5ADAM17ADAMTS4MMP1MMP12
SCHEMBL23745379 0.90 ADAMTS5 (0.62) ADAMTS5ADAM17ADAMTS4MMP2MMP13
SCHEMBL30013227 0.90 ADAMTS5 (0.62) ADAMTS5ADAM17ADAMTS4MMP2MMP13
SCHEMBL23745256 0.90 ADAMTS5 (0.62) ADAMTS5ADAM17ADAMTS4MMP2MMP13
SCHEMBL23745285 0.89 ADAMTS5 (0.64) ADAMTS5ADAMTS4MMP2MMP14
SCHEMBL23745360 0.89 ADAMTS5 (0.64) ADAMTS5ADAMTS4MMP2MMP14
SCHEMBL23745282 0.89 ADAMTS5 (0.64) ADAMTS5ADAMTS4MMP2MMP14
SCHEMBL23745416 0.87 ADAMTS5 (0.61) ADAMTS5ADAM17ADAMTS4MMP2MMP13
SCHEMBL23745339 0.87 ADAMTS5 (0.63) ADAMTS5ADAM17ADAMTS4MMP2MMP13
SCHEMBL23745341 0.87 ADAMTS5 (0.63) ADAMTS5ADAM17ADAMTS4MMP2MMP13

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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