SCHEMBL21035869

SCHEMBL21035869

CC1CN(Sc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
PKM P14618 1/20 0.46
GPR119 Q8TDV5 2/20 0.40
ALDH1A1 P00352 4/20 0.38
HDAC1 Q13547 1/20 0.38
SETD7 Q8WTS6 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 2/20 0.38
MAP4K4 O95819 1/20 0.38
LMNA P02545 2/20 0.37
NR1H2 P55055 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HSD11B1 P28845 1/20 0.36
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL24326409 0.79 MAPT (0.43) MAPTPKMGPR119ALDH1A1TDP1
SCHEMBL20994268 0.77 ALDH1A1 (0.54) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL29919658 0.74 MAPT (0.52) MAPTGPR119ALDH1A1HDAC1L3MBTL1
SCHEMBL3624023 0.74 AR (0.52) MAPTGPR119ALDH1A1HDAC1MAP4K4
SCHEMBL3435963 0.74 GPR119 (0.45) MAPTGPR119ALDH1A1L3MBTL1TDP1
SCHEMBL29919690 0.73 ALDH1A1 (0.47) MAPTGPR119ALDH1A1HDAC1SETD7
SCHEMBL15784121 0.73 ALDH1A1 (0.44) MAPTGPR119ALDH1A1SETD7TDP1
SCHEMBL17182248 0.72 MGLL (0.45) MAPTGPR119ALDH1A1TDP1LMNA
SCHEMBL15777464 0.72 MGLL (0.45) MAPTGPR119ALDH1A1TDP1LMNA
SCHEMBL19284226 0.71 LMNA (0.46) MAPTALDH1A1HDAC1SETD7LMNA

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-3489231-B1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2021-06-09 EP disclosed
EP-3489231-A1 PIPERAZINE DERIVATIVE Astellas Pharma Inc. (JP) 2019-05-29 EP disclosed