SCHEMBL16319055

SCHEMBL16319055

COc1ccc(F)c(-c2ncc(OCc3cc(C(CC(=O)O)C4CC4)ncn3)cc2CC(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.61
FFAR4 Q5NUL3 1/20 0.56

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
SCHEMBL16318841 0.92 FFAR1 (0.52) FFAR1FFAR4
SCHEMBL16319232 0.90 FFAR1 (0.66) FFAR1FFAR4
SCHEMBL16318945 0.88 FFAR1 (0.68) FFAR1FFAR4
SCHEMBL16319057 0.86 FFAR1 (0.57) FFAR1FFAR4
SCHEMBL16319032 0.84 FFAR1 (0.72) FFAR1
SCHEMBL16318516 0.82 FFAR1 (0.66) FFAR1FFAR4
SCHEMBL16318755 0.82 FFAR1 (0.56) FFAR1FFAR4
SCHEMBL16319221 0.80 FFAR1 (0.57) FFAR1FFAR4
SCHEMBL16319049 0.79 FFAR1 (0.48) FFAR1FFAR4
SCHEMBL16318840 0.79 FFAR1 (0.80) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
EP-2816023-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP disclosed