SCHEMBL1708148

SCHEMBL1708148

CCOc1nc2ccc(OC)cc2n1-c1cccc(CNc2ccc3c(c2)OC(C)[C@H]3OC(C)=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.41
MTNR1B P49286 8/20 0.41
MAPT P10636 6/20 0.34
SCD O00767 2/20 0.33
GFER P55789 1/20 0.33
PDE2A O00408 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ACACB O00763 1/20 0.32
HTT P42858 1/20 0.32
CLK1 P49759 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1708298 0.91 PDE10A (0.33) MTNR1AMTNR1BMAPTPDE2AALDH1A1
SCHEMBL1708139 0.91 GFER (0.39) MTNR1AMTNR1BMAPTSCDGFER
SCHEMBL1708111 0.91 NPC1 (0.33) MAPTGFERALDH1A1NPSR1KDM4E
SCHEMBL1708680 0.86 MTNR1A (0.39) MTNR1AMTNR1BMAPTPDE2AALDH1A1
SCHEMBL1708438 0.85 GFER (0.38) MAPTGFERALDH1A1KDM4EGAA
SCHEMBL1708133 0.82 GFER (0.36) MAPTSCDGFERALDH1A1KDM4E
SCHEMBL1708637 0.82 HPGD (0.37) MAPTSCDGFERALDH1A1KDM4E
SCHEMBL10291805 0.82 MTNR1A (0.39) MTNR1AMTNR1BMAPTSCDGFER
SCHEMBL10292315 0.82 MTNR1A (0.39) MTNR1AMTNR1BMAPTPDE2AALDH1A1
SCHEMBL1707997 0.82 PDE2A (0.33) MAPTPDE2AALDH1A1HTTNPSR1

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-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed