SCHEMBL1708712

SCHEMBL1708712

CCCN(c1ccccn1)c1cccc2c1OC[C@H]2Nc1ccc2c(c1)CO[C@H]2CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
ITGB5 P18084 1/20 0.33

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
SCHEMBL10010075 0.85 PPARG (0.41) FFAR1
SCHEMBL3718334 0.80 PPARG (0.33) FFAR1
SCHEMBL1708709 0.79 SMN1; SMN2 (0.33)
SCHEMBL1707962 0.79 SMN1; SMN2 (0.33)
SCHEMBL10011908 0.77 FFAR1 (0.42) FFAR1
SCHEMBL10009300 0.75 PPARD (0.39) FFAR1
SCHEMBL10010709 0.72 FFAR1 (0.42) FFAR1
SCHEMBL1708705 0.72 FFAR1 (0.34) FFAR1
SCHEMBL10009432 0.71 PPARG (0.36) FFAR1
SCHEMBL1708717 0.71 TSHR (0.34) 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