SCHEMBL23975627

SCHEMBL23975627

CN1CC(C(=O)NC2CCCCC2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
EPHX2 P34913 4/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.49
EPHX1 P07099 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL17756049 0.90 POLB (0.45) ALDH1A1GAAL3MBTL1EPHX2MAPK1
SCHEMBL18629428 0.86 ALDH1A1 (0.64) ALDH1A1GAAL3MBTL1EPHX2MAPK1
SCHEMBL21514117 0.85 L3MBTL1 (0.53) ALDH1A1GAAL3MBTL1EPHX2MAPK1
SCHEMBL25043979 0.85 TSHR (0.45) ALDH1A1GAAL3MBTL1EPHX2MAPK1
SCHEMBL8257182 0.83 GAA (0.64) ALDH1A1GAAL3MBTL1EPHX2MAPK1
SCHEMBL13745743 0.83 GAA (0.64) ALDH1A1GAAL3MBTL1EPHX2MAPK1
SCHEMBL25043966 0.81 POLB (0.39) ALDH1A1GAAL3MBTL1EPHX2LMNA
SCHEMBL23976134 0.81 ALDH1A1 (0.50) ALDH1A1GAAL3MBTL1EPHX2MAPK1
SCHEMBL13746318 0.81 GAA (0.61) ALDH1A1GAAL3MBTL1EPHX2MAPK1
SCHEMBL13783326 0.79 L3MBTL1 (0.64) ALDH1A1GAAL3MBTL1EPHX2MAPK1

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-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed