SCHEMBL1708710

SCHEMBL1708710

CCc1nc2ccc(F)cc2n1-c1cccc(CNc2ccc3c(c2)CO[C@H]3CC(=O)O)c1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BMI1 P35226 3/20 0.33
FFAR1 O14842 2/20 0.33
HTR1A P08908 3/20 0.32
HTR1D P28221 2/20 0.32
SLC6A4 P31645 2/20 0.32
HTR1B P28222 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPT P10636 2/20 0.32
PDE2A O00408 2/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
F2 P00734 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31

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
SCHEMBL1707877 0.84 FFAR1 (0.42) FFAR1
SCHEMBL10291339 0.82 BMI1 (0.34) BMI1FFAR1HTR1AHDAC6MAPT
SCHEMBL1708682 0.82 BMI1 (0.32) BMI1FFAR1HTR1AHTR1DSLC6A4
SCHEMBL10291340 0.80 MAPT (0.34) BMI1HDAC6MAPTPDE2ATP53
SCHEMBL1708028 0.78 FFAR1 (0.37) BMI1FFAR1MAPTTP53L3MBTL1
SCHEMBL1708121 0.78 FFAR1 (0.35) BMI1FFAR1HDAC6MAPTPDE2A
SCHEMBL1707879 0.77 MAPT (0.34) BMI1HDAC6MAPTPDE2ATP53
SCHEMBL1708122 0.77 MAPT (0.33) BMI1HDAC6MAPTPDE2ATP53
SCHEMBL10010706 0.76 FFAR1 (0.41) FFAR1
SCHEMBL1708266 0.76 FFAR1 (0.41) FFAR1

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