SCHEMBL22011473

SCHEMBL22011473

COC(=O)CN(C(=O)C(C)(C)C)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.40
USP30 Q70CQ3 4/20 0.39
EPHX1 P07099 1/20 0.38
GLS O94925 2/20 0.38
SCN9A Q15858 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
HSD11B1 P28845 2/20 0.37
ACKR3 P25106 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
NR1H2 P55055 1/20 0.35
HDAC4 P56524 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
SCHEMBL22011478 0.89 ALDH1A1 (0.43) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL21964052 0.88 MEN1 (0.46) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL21964050 0.88 MEN1 (0.46) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL24220724 0.88 ALDH1A1 (0.41) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL21964069 0.87 POLB (0.36) MEN1ALDH1A1MAPTKMT2AHSD11B1
SCHEMBL28604432 0.85 ALDH1A1 (0.40) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL24220747 0.85 ALDH1A1 (0.39) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL28609627 0.82 MEN1 (0.40) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL24220812 0.81 NR1H2 (0.40) MEN1ALDH1A1MAPTKMT2AUSP30
SCHEMBL22010418 0.81 NR1H2 (0.40) MEN1ALDH1A1MAPTKMT2AUSP30

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-2020099882-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 WO disclosed