SCHEMBL22892249

SCHEMBL22892249

CCC(=O)N1CCN(c2ccc(Cl)cc2OC)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.62
MAPK1 P28482 3/20 0.59
HTT P42858 1/20 0.59
ALDH1A1 P00352 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
GAA P10253 1/20 0.57
LMNA P02545 5/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RECQL P46063 1/20 0.54
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
USP2 O75604 1/20 0.50

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
SCHEMBL22892259 0.90 LMNA (0.59) TSHRMAPK1HTTALDH1A1NPSR1
SCHEMBL19002655 0.85 MAPT (0.68) TSHRMAPK1ALDH1A1GAALMNA
SCHEMBL12781995 0.85 TSHR (0.70) TSHRMAPK1HTTALDH1A1NPSR1
SCHEMBL19002661 0.84 L3MBTL1 (0.58) TSHRMAPK1ALDH1A1MAPTPKM
SCHEMBL22892248 0.84 TSHR (0.50) TSHRMAPK1HTTALDH1A1NPSR1
SCHEMBL17306127 0.83 MAPT (0.53) TSHRALDH1A1LMNAMAPTPOLB
SCHEMBL22892378 0.83 MAPT (0.49) TSHRMAPK1HTTALDH1A1NPSR1
SCHEMBL12781882 0.81 TSHR (0.73) TSHRMAPK1ALDH1A1LMNAPOLB
SCHEMBL31651670 0.81 DRD2 (0.54) MAPK1HTTNPSR1GAALMNA
SCHEMBL22892255 0.81 TSHR (0.53) TSHRMAPK1HTTALDH1A1NPSR1

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