SCHEMBL30012787

SCHEMBL30012787

CC1c2cc(Cl)c(Cl)cc2CN1C(=O)CCC1(C2CC2)CNCN1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 3/20 0.32
▸ ADAMTS5 Q9UNA0 3/20 0.31
▸ MMP2 P08253 2/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ MMP14 P50281 1/20 0.31

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
SCHEMBL30012620 0.88 ADAM17 (0.32) ADAM17
SCHEMBL30013191 0.78 ADAMTS5 (0.34) ADAM17ADAMTS5MMP2MMP13MMP14
SCHEMBL29250239 0.77 ADAMTS5 (0.54) ADAM17ADAMTS5MMP2MMP13MMP14
SCHEMBL23745335 0.77 ADAMTS5 (0.54) ADAM17ADAMTS5MMP2MMP13MMP14
SCHEMBL29835144 0.77 ADAMTS5 (0.54) ADAM17ADAMTS5MMP2MMP13MMP14
SCHEMBL23745213 0.77 ADAMTS5 (0.54) ADAM17ADAMTS5MMP2MMP13MMP14
SCHEMBL29835174 0.77 ADAMTS5 (0.54) ADAM17ADAMTS5MMP2MMP13MMP14
SCHEMBL23745336 0.77 ADAMTS5 (0.54) ADAM17ADAMTS5MMP2MMP13MMP14
SCHEMBL29835131 0.77 ADAMTS5 (0.54) ADAM17ADAMTS5MMP2MMP13MMP14
SCHEMBL29250240 0.77 ADAMTS5 (0.54) ADAM17ADAMTS5MMP2MMP13MMP14

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
EP-4100005-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2022-12-14 — — EP disclosed
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