SCHEMBL19996668

SCHEMBL19996668

CC1(CCC(=O)N2CCN(c3ccccc3F)CC2)NC(O)NC1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 11/20 0.59
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MMP2 P08253 1/20 0.49
▸ GAA P10253 1/20 0.48

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
SCHEMBL19996698 0.89 ADAMTS5 (0.69) ADAMTS5MMP2
SCHEMBL23901410 0.85 ADAMTS5 (0.67) ADAMTS5KMT2AMEN1MAPTLMNA
SCHEMBL23901405 0.83 ADAMTS5 (0.71) ADAMTS5MMP2
SCHEMBL17871418 0.82 ADAMTS5 (0.84) ADAMTS5MMP2
SCHEMBL23901420 0.82 ADAMTS5 (0.71) ADAMTS5MMP2
SCHEMBL23901404 0.79 ADAMTS5 (0.71) ADAMTS5MMP2
SCHEMBL23901205 0.79 ADAMTS5 (0.70) ADAMTS5KMT2AMEN1MMP2
SCHEMBL19996688 0.78 ADAMTS5 (0.71) ADAMTS5MMP2
SCHEMBL22892257 0.78 ADAMTS5 (0.56) ADAMTS5MMP2
SCHEMBL23901339 0.77 ADAMTS5 (0.72) ADAMTS5MMP2

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
US-9926281-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis GALAPAGOS NV (BE) 2018-03-27 — — US disclosed
Send feedback