SCHEMBL20159208

SCHEMBL20159208

C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]1[C@H]2N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
JAK3 P52333 1/20 0.37
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
RORC P51449 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL2071750 0.91 NR1H2 (0.51) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL20783407 0.91 NR1H2 (0.51) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL2486954 0.91 NR1H2 (0.51) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL26654208 0.91 NR1H2 (0.51) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL376935 0.91 NR1H2 (0.51) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL16892109 0.91 NR1H2 (0.51) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL15742950 0.91 NR1H2 (0.51) NR1H2USP2SMN1; SMN2DDB1CRBN
Hydrochloric Acid SCHEMBL30143747 0.89 NR1H2 (0.50) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL16199693 0.89 NR1H2 (0.53) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL12142155 0.89 NR1H2 (0.53) NR1H2USP2SMN1; SMN2DDB1CRBN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538516-B1 PHENOXYTRIAZOLES HOFFMANN LA ROCHE (CH) 2021-06-16 EP disclosed
WO-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 WO disclosed