SCHEMBL28059263

SCHEMBL28059263

CC(C)(C)OC(=O)N1CC(Oc2cccc([N+](=O)[O-])c2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
USP30 Q70CQ3 1/20 0.47
GHSR Q92847 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALOX5 P09917 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR3C2 P08235 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
GPR119 Q8TDV5 2/20 0.40

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
SCHEMBL28059322 0.91 USP30 (0.52) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL1031264 0.91 USP30 (0.52) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL8247003 0.91 USP30 (0.52) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL29796085 0.89 GPR119 (0.53) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL2481879 0.89 GPR119 (0.53) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL22735288 0.87 MAPT (0.45) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL22735308 0.87 MAPT (0.45) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL22735290 0.87 MAPT (0.45) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL22772006 0.87 MAPT (0.45) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL22735303 0.87 MAPT (0.45) SLC6A2SLC6A4SLC6A3MAPTALDH1A1

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
CN-105384695-A Pyrimidine derivative, preparation method therefor and application thereof in medicine SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-03-09 CN disclosed