SCHEMBL11202192

SCHEMBL11202192

CCN(C(C)C)C(c1cccnc1)C1COCOC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNA5 P22460 6/20 0.34
GRM2 Q14416 1/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11200368 0.83 SMN1; SMN2 (0.35) SMN1; SMN2LMNAL3MBTL1SLC6A2SLC6A4
SCHEMBL11200768 0.82 SMN1; SMN2 (0.36) SMN1; SMN2LMNAL3MBTL1CHRNB2CHRNA4
Doxpicomine SCHEMBL29356901 0.81 SLC6A2 (0.38) SMN1; SMN2LMNAL3MBTL1SLC6A2SLC6A4
Doxpicomine SCHEMBL11176546 0.81 SLC6A2 (0.38) SMN1; SMN2LMNAL3MBTL1SLC6A2SLC6A4
SCHEMBL11203978 0.81 LMNA (0.37) SMN1; SMN2LMNAL3MBTL1SLC6A2SLC6A4
Doxpicomine SCHEMBL29658207 0.80 TSHR (0.37) SMN1; SMN2LMNAL3MBTL1SLC6A2SLC6A4
Doxpicomine SCHEMBL122961 0.80 TSHR (0.37) SMN1; SMN2LMNAL3MBTL1SLC6A2SLC6A4
Doxpicomine SCHEMBL11865226 0.80 TSHR (0.37) SMN1; SMN2LMNAL3MBTL1SLC6A2SLC6A4
SCHEMBL11202272 0.80 KCNA5 (0.34) SMN1; SMN2LMNAL3MBTL1SLC6A2SLC6A4
SCHEMBL11204457 0.80 KCNA5 (0.36) SMN1; SMN2LMNAL3MBTL1SLC6A2SLC6A4

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
EP-0080847-A2 Improvements in or relating to the synthesis of dioxane analgesics ELI LILLY AND COMPANY (US) 1983-06-08 EP disclosed