SCHEMBL29860741

SCHEMBL29860741

O=C(N1CCOCC1)C12CC(C1)C2

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.73
HSD11B1 P28845 6/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL8749262 0.92 MAPK1 (0.80) MAPK1HSD11B1L3MBTL1SMN1; SMN2LMNA
SCHEMBL16064907 0.92 MAPK1 (0.80) MAPK1HSD11B1L3MBTL1SMN1; SMN2LMNA
SCHEMBL8749079 0.90 MAPK1 (0.77) MAPK1HSD11B1L3MBTL1SMN1; SMN2LMNA
SCHEMBL8749263 0.90 MAPK1 (0.77) MAPK1HSD11B1L3MBTL1SMN1; SMN2LMNA
SCHEMBL8748863 0.90 MAPK1 (0.77) MAPK1HSD11B1L3MBTL1SMN1; SMN2LMNA
SCHEMBL6881683 0.90 MAPK1 (0.77) MAPK1HSD11B1L3MBTL1SMN1; SMN2LMNA
SCHEMBL8749177 0.90 MAPK1 (0.77) MAPK1HSD11B1L3MBTL1SMN1; SMN2LMNA
SCHEMBL8749301 0.90 MAPK1 (0.77) MAPK1HSD11B1L3MBTL1SMN1; SMN2LMNA
SCHEMBL6870643 0.90 MAPK1 (0.77) MAPK1HSD11B1L3MBTL1SMN1; SMN2LMNA
SCHEMBL8749195 0.87 MAPK1 (0.68) MAPK1HSD11B1L3MBTL1SMN1; SMN2LMNA

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-2022171072-A1 DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海维申医药有限公司 2022-08-18 WO disclosed