SCHEMBL22892269

SCHEMBL22892269

CCC(=O)N1CCN(c2cc(OC)c(Cl)cc2C)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.47
RECQL P46063 1/20 0.47
CCR1 P32246 6/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADAM17 P78536 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
USP2 O75604 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL22892378 0.90 MAPT (0.49) TSHRMEN1KMT2AMAPTRECQL
SCHEMBL22892255 0.85 TSHR (0.53) TSHRMEN1KMT2AMAPTRECQL
SCHEMBL22892230 0.85 MEN1 (0.56) TSHRMEN1KMT2AMAPTRECQL
SCHEMBL22892248 0.83 TSHR (0.50) TSHRMEN1KMT2AMAPTRECQL
SCHEMBL22892383 0.80 MEN1 (0.47) TSHRMEN1KMT2AMAPTRECQL
SCHEMBL22892249 0.78 TSHR (0.62) TSHRMEN1KMT2AMAPTRECQL
SCHEMBL22892259 0.78 LMNA (0.59) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL12765632 0.78 CCR1 (0.65) CCR1
SCHEMBL2875570 0.77 CCR1 (0.75) CCR1
SCHEMBL19691695 0.77 ADAMTS5 (0.82) ADAM17ADAMTS5

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