SCHEMBL1583785

SCHEMBL1583785

CC(C)(C)OC(=O)N1CCN(C2C[C@H]3CC(O)C[C@H]3C2)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
PREP P48147 1/20 0.38
NR1H2 P55055 3/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
EPHX2 P34913 1/20 0.37
TP53 P04637 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR2 Q92731 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1583786 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL1662768 0.93 NR1H2 (0.40) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL1583749 0.93 NR1H2 (0.40) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL2322107 0.86 CHRM2 (0.51) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL1664180 0.86 CHRM2 (0.51) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL1583351 0.84 CHRM2 (0.49) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL1663196 0.84 CHRM2 (0.49) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL1583349 0.84 CHRM2 (0.49) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL5619854 0.84 CHRM2 (0.46) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL1584022 0.82 NR1H2 (0.53) CHRM2CHRM1CHRM3NR1H2DDB1

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