SCHEMBL13629866

SCHEMBL13629866

CC(=O)Cn1c(=O)cc[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
ADORA2B P29275 1/20 0.33
SLC9A1 P19634 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APEX1 P27695 1/20 0.32

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
SCHEMBL667246 0.81 KDM4E (0.54) NPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL490624 0.77
SCHEMBL5860460 0.76 LMNA (0.49) NPC1GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL8064660 0.76 DAO (0.31)
SCHEMBL4347789 0.75 TYMP (0.31)
SCHEMBL16247195 0.74 APAF1 (0.46) POLBKDM4EALDH1A1
SCHEMBL2983409 0.73 ADRA1D (0.34) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9118472 0.73 KDM4E (0.39) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL30186008 0.72 POLB (0.38) POLBGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL8377755 0.72 TYMP (0.32)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed