SCHEMBL7913037

SCHEMBL7913037

COC(=O)OCC1=CN2C=C(C)NC2C(c2cccc(Cl)c2)=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.35
CHRM3 P20309 6/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
ALOX5 P09917 2/20 0.34
DYRK3 O43781 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PGR P06401 1/20 0.33
ALPL P05186 1/20 0.33
KCNH2 Q12809 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
SCHEMBL7902818 0.84 SLC6A3 (0.35) SLC6A3CHRM3LMNAMAPTMEN1
SCHEMBL7911681 0.83 MAPT (0.36) SLC6A3CHRM3LMNAMAPTMEN1
SCHEMBL7911686 0.82 PGR (0.34) LMNAMAPTMEN1ALDH1A1ALOX12
SCHEMBL7914051 0.82 SLC6A3 (0.35) SLC6A3CHRM3LMNAMAPTMEN1
SCHEMBL7910125 0.80 PGR (0.34) MAPTMEN1ALDH1A1KMT2APGR
SCHEMBL7912990 0.78 PARP1 (0.37) SLC6A3LMNAMAPTMEN1ALDH1A1
SCHEMBL7921942 0.76 CHRM3 (0.31) CHRM3LMNAMAPTMEN1ALDH1A1
SCHEMBL7929296 0.75 DYRK3 (0.49) CHRM3LMNAMAPTALDH1A1JAK2
SCHEMBL7902852 0.75 NPC1 (0.34) MAPTKMT2ADYRK3DYRK1ADYRK2
SCHEMBL7913253 0.75 MAOB (0.34) LMNAMAPTALDH1A1ALOX12PGR

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
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed