SCHEMBL470541

SCHEMBL470541

C[C@H](Oc1cnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
NTSR1 P30989 1/20 0.43
HSD11B1 P28845 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
USP30 Q70CQ3 1/20 0.41
GRIN2B Q13224 1/20 0.40
HTT P42858 1/20 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
SCHEMBL12064727 0.88 GRIN2B (0.45) L3MBTL1CKS1BSKP1SKP2MAPT
SCHEMBL470599 0.86 GPR119 (0.43) CKS1BSKP1SKP2HSD11B1GPR119
SCHEMBL12064782 0.81 PDE4B (0.42) L3MBTL1MAPTMAPK1NPSR1MEN1
SCHEMBL470605 0.80 PDE10A (0.43) CKS1BSKP1SKP2CTSK
SCHEMBL953899 0.80 HSD11B1 (0.59) L3MBTL1MEN1KMT2AHSD11B1CTSL
SCHEMBL1971844 0.80 HSD11B1 (0.59) L3MBTL1MEN1KMT2AHSD11B1CTSL
SCHEMBL1775260 0.80 HSD11B1 (0.59) L3MBTL1MEN1KMT2AHSD11B1CTSL
SCHEMBL951538 0.79 KMT2A (0.59) L3MBTL1MAPTMAPK1NPSR1MEN1
SCHEMBL4324325 0.78 SMN1; SMN2 (0.56) L3MBTL1MEN1KMT2AHSD11B1CTSL
SCHEMBL17140621 0.78 SMN1; SMN2 (0.56) L3MBTL1MEN1KMT2AHSD11B1CTSL

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed