SCHEMBL1807759

SCHEMBL1807759

CCOC(=O)c1c(COC)n[nH]c1-c1ncccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 4/20 0.42
HTT P42858 1/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 1/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA1 P30542 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36

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
SCHEMBL1806943 0.88 TDP2 (0.43) TDP2HTTMAPK10SMN1; SMN2IDO1
SCHEMBL1806318 0.86 PDE4D (0.50) TDP2HTTMAPK10SMN1; SMN2IDO1
SCHEMBL1806748 0.79 PDE4D (0.47) TDP2HTTMAPK10SMN1; SMN2IDO1
SCHEMBL1806295 0.77 CA12 (0.35) SMN1; SMN2NPC1KMT2AMAPTKDM4E
SCHEMBL10921548 0.77 TDP2 (0.42) TDP2HTTMAPK10SMN1; SMN2IDO1
SCHEMBL1803979 0.76 TDP2 (0.43) TDP2SMN1; SMN2KMT2APOLBKDM4E
SCHEMBL1807102 0.74 PDE4D (0.47) HTTMAPK10SMN1; SMN2NPC1KMT2A
SCHEMBL16682538 0.72 ALPL (0.54) NPC1KMT2ARAB9APOLBMAPT
SCHEMBL1807745 0.72 PDE4D (0.50) TDP2HTTMAPK10SMN1; SMN2IDO1
SCHEMBL1808198 0.71 PDE4D (0.43) TDP2HTTMAPK10SMN1; SMN2IDO1

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
EP-2501703-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
WO-2011060035-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed