SCHEMBL1708705

SCHEMBL1708705

CCOc1nc2ccccc2n1-c1cccc2c1OC[C@H]2Nc1ccc2c(c1)CO[C@H]2CC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.34
NTRK1 P04629 1/20 0.30
NTRK2 Q16620 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1708685 0.92 FFAR1 (0.32) FFAR1
SCHEMBL1708700 0.91 FFAR1 (0.33) FFAR1
SCHEMBL1708662 0.89 L3MBTL1 (0.37) FFAR1NTRK1NTRK2L3MBTL1
SCHEMBL1708717 0.89 TSHR (0.34) FFAR1L3MBTL1
SCHEMBL1708686 0.87 FFAR1 (0.32) FFAR1
SCHEMBL1708701 0.87 FFAR1 (0.32) FFAR1
SCHEMBL1708001 0.86 FFAR1 (0.41) FFAR1
SCHEMBL1708615 0.86 FFAR1 (0.41) FFAR1
SCHEMBL1708722 0.81 FFAR1 (0.34) FFAR1NTRK1NTRK2
SCHEMBL1708682 0.81 BMI1 (0.32) FFAR1L3MBTL1

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