SCHEMBL1708030

SCHEMBL1708030

CCc1nc2ccc(F)cc2n1-c1cccc2c1CCC2N(C(=O)C(F)(F)F)c1ccc2c(c1)OC[C@H]2CC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.37

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
SCHEMBL10010069 0.93 FFAR1 (0.36) FFAR1
SCHEMBL1708290 0.91 FFAR1 (0.36) FFAR1
SCHEMBL1708643 0.91 FFAR1 (0.33) FFAR1
SCHEMBL1708086 0.91 FFAR1 (0.33) FFAR1
SCHEMBL10011287 0.86 FFAR1 (0.36) FFAR1
SCHEMBL10009517 0.85 FFAR1 (0.36) FFAR1
SCHEMBL1708344 0.84 FFAR1 (0.34) FFAR1
SCHEMBL1708279 0.84 FFAR1 (0.34) FFAR1
SCHEMBL1707945 0.84 FFAR1 (0.34) FFAR1
SCHEMBL1708234 0.84 FFAR1 (0.35) 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