SCHEMBL22892302

SCHEMBL22892302

COc1cc(F)cc(N2CCN(C(=O)C(C)CC3NC(=O)NC3=O)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.69
▸ MMP2 P08253 4/20 0.69
▸ ADAM17 P78536 3/20 0.69
▸ ADAMTS4 O75173 9/20 0.63
▸ MMP14 P50281 1/20 0.54
▸ ADAM10 O14672 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ ADAM9 Q13443 1/20 0.44
▸ MMP13 P45452 1/20 0.43

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
SCHEMBL19691579 0.84 ADAMTS5 (0.68) ADAMTS5MMP2ADAM17ADAMTS4MMP14
SCHEMBL19709398 0.84 ADAMTS5 (0.68) ADAMTS5MMP2ADAM17ADAMTS4MMP14
SCHEMBL20708349 0.83 ADAMTS5 (0.64) ADAMTS5MMP2ADAM17ADAMTS4MMP14
SCHEMBL20708471 0.83 ADAMTS5 (0.64) ADAMTS5MMP2ADAM17ADAMTS4MMP14
SCHEMBL22892253 0.83 ADAMTS5 (0.75) ADAMTS5ADAM17ADAMTS4ADAM10MMP12
SCHEMBL21582750 0.82 ADAMTS5 (0.76) ADAMTS5MMP2ADAM17ADAMTS4MMP14
SCHEMBL17871566 0.82 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17ADAMTS4MMP14
SCHEMBL20708354 0.80 ADAMTS5 (0.77) ADAMTS5MMP2ADAM17ADAMTS4MMP14
SCHEMBL19709325 0.78 ADAMTS5 (0.64) ADAMTS5MMP2ADAM17ADAMTS4
SCHEMBL19691583 0.77 ADAMTS5 (1.00) ADAMTS5MMP2ADAM17ADAMTS4MMP14

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-3468955-B1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2021-01-06 — — EP disclosed
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