SCHEMBL1708142

SCHEMBL1708142

CCOc1nc2ccc(F)cc2n1-c1cccc2c1OC[C@H]2N(C(=O)C(F)(F)F)c1ccc2c(c1)OC[C@H]2CC(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 19/20 0.33
LMNA P02545 1/20 0.32
PPARD Q03181 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
SCHEMBL1708591 1.00 FFAR1 (0.33) FFAR1LMNAPPARD
SCHEMBL10011276 0.94 FFAR1 (0.37) FFAR1PPARD
SCHEMBL10009505 0.94 FFAR1 (0.37) FFAR1PPARD
SCHEMBL1708018 0.93 FFAR1 (0.34) FFAR1LMNA
SCHEMBL1708383 0.93 LMNA (0.35) FFAR1LMNAPPARD
SCHEMBL1708330 0.93 LMNA (0.35) FFAR1LMNAPPARD
SCHEMBL1708086 0.91 FFAR1 (0.33) FFAR1LMNAPPARD
SCHEMBL1708643 0.91 FFAR1 (0.33) FFAR1LMNAPPARD
SCHEMBL1707945 0.91 FFAR1 (0.34) FFAR1LMNAPPARD
SCHEMBL1708279 0.91 FFAR1 (0.34) FFAR1LMNAPPARD

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