SCHEMBL4483695

SCHEMBL4483695

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)OCc2ccccc2)[C@H](C(c2ccc(F)cc2)c2ccc(F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
GPR119 Q8TDV5 3/20 0.47
CTSK P43235 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HSD11B1 P28845 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DPP4 P27487 2/20 0.43
KCNH2 Q12809 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RORC P51449 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
STS P08842 1/20 0.42

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
SCHEMBL4483688 1.00 P2RX7 (0.47) P2RX7GPR119CTSKL3MBTL1HSD11B1
SCHEMBL4483683 1.00 P2RX7 (0.47) P2RX7GPR119CTSKL3MBTL1HSD11B1
SCHEMBL5444431 0.86 PDE4B (0.51) P2RX7GPR119CTSKL3MBTL1HSD11B1
SCHEMBL5225674 0.86 PDE4B (0.51) P2RX7GPR119CTSKL3MBTL1HSD11B1
SCHEMBL5444435 0.86 PDE4B (0.51) P2RX7GPR119CTSKL3MBTL1HSD11B1
SCHEMBL4483103 0.85 CTSK (0.46) CTSKHSD11B1MEN1KMT2ADPP4
SCHEMBL30368828 0.83 USP30 (0.52) GPR119CTSKL3MBTL1HSD11B1DPP4
SCHEMBL15409022 0.83 USP30 (0.52) GPR119CTSKL3MBTL1HSD11B1DPP4
SCHEMBL3332405 0.83 USP30 (0.52) GPR119CTSKL3MBTL1HSD11B1DPP4
SCHEMBL3332409 0.83 USP30 (0.52) GPR119CTSKL3MBTL1HSD11B1DPP4

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