SCHEMBL1708708

SCHEMBL1708708

CC(C)c1nc2ccc(F)cc2n1-c1cccc2c1OC[C@H]2Nc1ccc2c(c1)CO[C@H]2CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.32
HTR1D P28221 2/20 0.32
SLC6A4 P31645 2/20 0.32
HTR1B P28222 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL1708707 0.91 FFAR1 (0.32) HTR1AHTR1DSLC6A4HTR1B
SCHEMBL1708682 0.90 BMI1 (0.32) HTR1AHTR1DSLC6A4HTR1BL3MBTL1
SCHEMBL1708685 0.88 FFAR1 (0.32) HTR1AHTR1DSLC6A4HTR1B
SCHEMBL1708671 0.87 KDR (0.31)
SCHEMBL1708355 0.86 FFAR1 (0.37) L3MBTL1
SCHEMBL1708668 0.86 SCN9A (0.33)
SCHEMBL1708716 0.86
SCHEMBL1708717 0.82 TSHR (0.34) L3MBTL1
SCHEMBL1708723 0.82 FFAR1 (0.32)
SCHEMBL1708043 0.81 L3MBTL1 (0.33) L3MBTL1

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