SCHEMBL6900671

SCHEMBL6900671

CCN[C@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX1 P07099 1/20 0.51
USP30 Q70CQ3 3/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
HPGD P15428 1/20 0.47
BRD4 O60885 1/20 0.46
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PARP1 P09874 1/20 0.43
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
GLS O94925 1/20 0.43
KDM1A O60341 1/20 0.41
NR1H2 P55055 1/20 0.41
ACKR3 P25106 1/20 0.41
ANO1 Q5XXA6 1/20 0.41

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
SCHEMBL2498330 0.91 EPHX1 (0.54) MEN1ALDH1A1MAPTKMT2AEPHX1
SCHEMBL652761 0.91 EPHX1 (0.54) MEN1ALDH1A1MAPTKMT2AEPHX1
SCHEMBL3255861 0.91 EPHX1 (0.54) MEN1ALDH1A1MAPTKMT2AEPHX1
SCHEMBL28779716 0.90 USP30 (0.52) MEN1ALDH1A1MAPTKMT2AEPHX1
SCHEMBL2729153 0.90 USP30 (0.52) MEN1ALDH1A1MAPTKMT2AEPHX1
SCHEMBL6128815 0.90 USP30 (0.52) MEN1ALDH1A1MAPTKMT2AEPHX1
Hydrochloric Acid SCHEMBL2498984 0.90 EPHX1 (0.52) MEN1ALDH1A1MAPTKMT2AEPHX1
SCHEMBL13597298 0.89 EPHX1 (0.62) MEN1ALDH1A1MAPTKMT2AEPHX1
SCHEMBL1420850 0.87 ALDH1A1 (0.51) MEN1ALDH1A1MAPTKMT2AEPHX1
SCHEMBL12991276 0.87 ALDH1A1 (0.51) MEN1ALDH1A1MAPTKMT2AEPHX1

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-2011050200-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed