SCHEMBL1583541

SCHEMBL1583541

CC(C)(C)OC(=O)N1CCN(c2cccc(F)c2)C(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.48
GRM5 P41594 1/20 0.48
GRM1 Q13255 1/20 0.48
TP53 P04637 1/20 0.47
USP30 Q70CQ3 2/20 0.45
TGM2 P21980 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
NR1H2 P55055 1/20 0.44
P2RX7 Q99572 3/20 0.43
GPR119 Q8TDV5 1/20 0.43
POLB P06746 1/20 0.43
ENPP2 Q13822 1/20 0.42

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
SCHEMBL1583805 0.88 NR1H2 (0.44) HPGDSGRM5GRM1NR1H2P2RX7
SCHEMBL5891913 0.87 P2RX7 (0.58) TP53USP30MKNK1NR1H2P2RX7
SCHEMBL22650344 0.87 NR1H2 (0.53) USP30NR1H2P2RX7GPR119
SCHEMBL30998085 0.87 NR1H2 (0.53) USP30NR1H2P2RX7GPR119
SCHEMBL19690382 0.86 USP30 (0.45) USP30NR1H2P2RX7GPR119
SCHEMBL6982296 0.85 LIPE (0.47) USP30NR1H2P2RX7GPR119
SCHEMBL1583532 0.85 P2RX7 (0.51) GRM5GRM1NR1H2P2RX7ENPP2
SCHEMBL3068738 0.85 GPR119 (0.53) GRM5GRM1USP30NR1H2GPR119
SCHEMBL1583449 0.83 GRM5 (0.46) GRM5USP30NR1H2P2RX7GPR119
SCHEMBL30998103 0.83 MAPT (0.55) USP30NR1H2ENPP2

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
WO-2011041713-A2 PIPERAZINYL ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-07 WO disclosed