SCHEMBL7768121

SCHEMBL7768121

CC(C)(C)NC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)CCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 1/20 0.36
MAPK1 P28482 1/20 0.36
NR1H2 P55055 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.36
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL13073441 0.84 USP2 (0.39) USP2SMN1; SMN2EPHX1MAPK1NR1H2
SCHEMBL2561810 0.83 USP2 (0.41) USP2SMN1; SMN2EPHX1MAPK1NR1H2
SCHEMBL27752719 0.83 USP2 (0.41) USP2SMN1; SMN2EPHX1MAPK1NR1H2
SCHEMBL28127594 0.80 USP2 (0.42) USP2SMN1; SMN2EPHX1MAPK1NR1H2
SCHEMBL28136162 0.80 USP2 (0.42) USP2SMN1; SMN2EPHX1MAPK1NR1H2
SCHEMBL27481655 0.80 NR1H2 (0.40) USP2SMN1; SMN2EPHX1MAPK1NR1H2
SCHEMBL7367963 0.80 ADRA1D (0.41) USP2SMN1; SMN2EPHX1MAPK1NR1H2
SCHEMBL7275829 0.80 ADRA1D (0.41) USP2SMN1; SMN2EPHX1MAPK1NR1H2
SCHEMBL19051326 0.77 USP2 (0.40) USP2SMN1; SMN2EPHX1MAPK1NR1H2
Piperazine SCHEMBL28853588 0.76 NR1H2 (0.45) USP2SMN1; SMN2EPHX1MAPK1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0744401-B1 Process for the preparation of optically active 2-piperazine carboxylic acid derivatives LONZA AG (CH) 2001-11-21 EP disclosed
EP-1125930-A1 Optically active piperazine-2-carboxylic acid derivatives and process for their preparation LONZA AG (CH) 2001-08-22 EP disclosed
EP-0744401-A2 Process of preparation of optically active 2-piperazine carboxylic acid LONZA AG (CH) 1996-11-27 EP disclosed