SCHEMBL6638286

SCHEMBL6638286

CC(C)(C)OC(=O)C1CN(C(=O)OC(C)(C)C)C(CN)C1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
MAP4K4 O95819 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL31503776 0.71 NR1H2 (0.38) NR1H2MAPK1HSD11B1ALDH1A1
SCHEMBL29023069 0.71 MAPT (0.47) NR1H2MAPK1HSD11B1MEN1KMT2A
SCHEMBL6884261 0.69 MEN1 (0.39) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL8610457 0.69 NR1H2 (0.42) NR1H2HSD11B1CHRM2CHRM1CHRM3
SCHEMBL16860460 0.69 NR1H2 (0.39) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL8611458 0.69 NR1H2 (0.42) NR1H2HSD11B1CHRM2CHRM1CHRM3
SCHEMBL20990302 0.66 NR1H2 (0.39) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL1398690 0.65 HTT (0.43) CHRM2CHRM1CHRM3
SCHEMBL1630474 0.65 HTT (0.43) CHRM2CHRM1CHRM3
SCHEMBL1630475 0.65 HTT (0.43) CHRM2CHRM1CHRM3

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-1412078-A1 PROCESSES FOR THE PRODUCTION OF AMINO-PROTECTED DERIVATIVES OF 4-AMINOMETHYLENE-PYRROLIDIN-3-ONE AND/OR 4-AMINOMETHYLENE-PYRROLIDIN-3-ALKOXYIMINO DERIVATIVES AND/OR GEMIFLOXACIN OR A SALT THEREOF SB Pharmco Puerto Rico Inc (US) 2004-04-28 EP disclosed
WO-2003011450-A1 PROCESSES FOR THE PRODUCTION OF AMINO-PROTECTED DERIVATIVES OF 4-AMINOMETHYLENE-PYRROLIDIN-3-ONE AND/OR 4-AMINOMETHYLENE-PYRROLIDIN-3-ALKOXYIMINO DERIVATIVES AND/OR GEMIFLOXACIN OR A SALT THEREOF LG LIFE SCIENCES LIMITED (KR) 2003-02-13 WO disclosed