SCHEMBL1708685

SCHEMBL1708685

CCOc1nc2ccc(F)cc2n1-c1cccc2c1OC[C@H]2Nc1ccc2c(c1)CO[C@H]2CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.32
ADORA2B P29275 1/20 0.32
HTR1A P08908 3/20 0.30
DRD2 P14416 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
HTR1D P28221 2/20 0.30
SLC6A4 P31645 2/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL1708700 0.93 FFAR1 (0.33) FFAR1ADORA2B
SCHEMBL1708705 0.92 FFAR1 (0.34) FFAR1
SCHEMBL1708701 0.90 FFAR1 (0.32) FFAR1
SCHEMBL1708682 0.90 BMI1 (0.32) FFAR1ADORA2BHTR1ADRD2HTR2C
SCHEMBL1708707 0.90 FFAR1 (0.32) FFAR1ADORA2BHTR1AHTR1DSLC6A4
SCHEMBL1708686 0.89 FFAR1 (0.32) FFAR1
SCHEMBL1708708 0.88 HTR1A (0.32) HTR1AHTR1DSLC6A4HTR1B
SCHEMBL1708267 0.87 FFAR1 (0.40) FFAR1
SCHEMBL1707970 0.87 FFAR1 (0.40) FFAR1
SCHEMBL1708671 0.86 KDR (0.31) 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