SCHEMBL17871330

SCHEMBL17871330

CC(CC1(C2CC2)NC(=O)NC1=O)C(=O)N1CCN(c2ccc(F)c(-c3cn[nH]c3)c2)[C@@H](C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 1.00
▸ MMP2 P08253 12/20 1.00
▸ MMP14 P50281 6/20 0.79
▸ ADAM17 P78536 1/20 0.78
▸ MMP13 P45452 6/20 0.75
▸ ADAMTS4 O75173 1/20 0.75
▸ CYP3A4 P08684 1/20 0.75

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
SCHEMBL17884848 1.00 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17871368 0.88 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17884652 0.88 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17884476 0.88 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17871428 0.88 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17884473 0.88 ADAMTS5 (1.00) ADAMTS5MMP2MMP14ADAM17MMP13
SCHEMBL17871254 0.87 ADAMTS5 (1.00) ADAMTS5MMP2
SCHEMBL17871208 0.86 ADAMTS5 (1.00) ADAMTS5MMP2MMP14MMP13ADAMTS4
SCHEMBL17884484 0.86 ADAMTS5 (1.00) ADAMTS5MMP2MMP14MMP13ADAMTS4
SCHEMBL20493620 0.86 ADAMTS5 (1.00) ADAMTS5MMP2MMP14MMP13ADAMTS4

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
EP-3237406-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Galapagos NV (BE) 2017-11-01 — — EP disclosed
WO-2016102347-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS GALAPAGOS NV (BE) 2016-06-30 — — WO disclosed
Send feedback