SCHEMBL1708662

SCHEMBL1708662

CCc1nc2ccccc2n1-c1cccc2c1OC[C@H]2Nc1ccc2c(c1)CO[C@H]2CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
NTRK1 P04629 3/20 0.33
NTRK2 Q16620 3/20 0.33
FFAR1 O14842 2/20 0.33
NOD2 Q9HC29 6/20 0.32
NOD1 Q9Y239 6/20 0.32
PIN1 Q13526 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MCHR1 Q99705 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
SCHEMBL1708717 0.92 TSHR (0.34) L3MBTL1FFAR1TP53LMNAMCHR1
SCHEMBL1708682 0.91 BMI1 (0.32) L3MBTL1FFAR1
SCHEMBL1708723 0.91 FFAR1 (0.32) FFAR1
SCHEMBL1708722 0.90 FFAR1 (0.34) NTRK1NTRK2FFAR1
SCHEMBL1708705 0.89 FFAR1 (0.34) L3MBTL1NTRK1NTRK2FFAR1
SCHEMBL1708706 0.86 FFAR1 (0.31) FFAR1MCHR1
SCHEMBL1708167 0.85 PPARG (0.39) L3MBTL1NTRK1NTRK2FFAR1
SCHEMBL1707941 0.85 PPARG (0.39) L3MBTL1NTRK1NTRK2FFAR1
SCHEMBL1708707 0.84 FFAR1 (0.32) FFAR1
SCHEMBL1708685 0.81 FFAR1 (0.32) 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