SCHEMBL12065331

SCHEMBL12065331

CC(C)(C)OC(=O)N1CCC2(CCCN(c3ccc(O)c(O)c3)C2=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.56
USP30 Q70CQ3 1/20 0.54
GPR119 Q8TDV5 6/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
PDK2 Q15119 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL2470605 0.84 HRH3 (0.60) HRH3USP30GPR119MAPTALDH1A1
SCHEMBL2300710 0.81 HRH3 (0.54) HRH3USP30GPR119MAPTALDH1A1
SCHEMBL12426822 0.79 HRH3 (0.52) HRH3USP30GPR119MAPTALDH1A1
SCHEMBL2478632 0.78 HRH3 (0.57) HRH3USP30GPR119MAPTALDH1A1
SCHEMBL2301623 0.77 HRH3 (0.51) HRH3USP30GPR119MAPTALDH1A1
SCHEMBL22396214 0.77 USP30 (0.66) HRH3USP30GPR119ALDH1A1MEN1
SCHEMBL23529148 0.77 USP30 (0.55) HRH3USP30GPR119MEN1KMT2A
SCHEMBL4814583 0.77 USP30 (0.55) HRH3USP30GPR119
SCHEMBL17760752 0.76 USP30 (0.56) HRH3USP30GPR119ALDH1A1
SCHEMBL2477027 0.76 HRH3 (0.51) HRH3USP30GPR119LMNAMEN1

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-2011148962-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF 大正製薬株式会社 (JP) 2011-12-01 WO disclosed