SCHEMBL1809756

SCHEMBL1809756

CCOC(=O)c1c(C)n[nH]c1-c1ncccc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.46
TDP2 O95551 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
MAPK10 P53779 1/20 0.38
ELANE P08246 1/20 0.38
DRD1 P21728 1/20 0.37
SLC34A1 Q06495 1/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
IDO1 P14902 1/20 0.37
IGF1R P08069 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
BRD4 O60885 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL1807386 0.82 PDE4D (0.43) PDE4DTDP2KDM4ECASP1HSD17B10
SCHEMBL1806318 0.81 PDE4D (0.50) PDE4DTDP2KDM4ESMN1; SMN2HTT
SCHEMBL1807745 0.81 PDE4D (0.50) PDE4DTDP2KDM4ESMN1; SMN2HTT
SCHEMBL1807009 0.80 PDE4D (0.48) PDE4DTDP2KDM4ESMN1; SMN2HTT
SCHEMBL1806748 0.79 PDE4D (0.47) PDE4DTDP2KDM4ECASP1HSD17B10
SCHEMBL1805935 0.78 PDE4D (0.46) PDE4DTDP2KDM4ECASP1HSD17B10
SCHEMBL1810207 0.76 DRD1 (0.36) DRD1
SCHEMBL1808198 0.75 PDE4D (0.43) PDE4DTDP2KDM4ECASP1HSD17B10
SCHEMBL1805952 0.74 DRD1 (0.39) DRD1
SCHEMBL19209480 0.72 PDE4D (0.59) PDE4DKDM4EHSD17B10SMN1; SMN2HTT

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