SCHEMBL16319300

SCHEMBL16319300

COc1ccc(COc2ccc(-c3cc(OC)ccc3F)c(C(=O)NNC(=O)C(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.48
SMPD1 P17405 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL16318836 0.86 ALDH1A1 (0.55) FFAR1SMPD1ALDH1A1MAPTHTT
SCHEMBL16318901 0.82 FFAR1 (0.53) FFAR1MAOAMAOB
SCHEMBL16319035 0.80 FFAR1 (0.51) FFAR1MAOAMAOB
SCHEMBL16318948 0.80 FFAR1 (0.53) FFAR1MAOAMAOB
SCHEMBL16318661 0.79 FFAR1 (0.51) FFAR1MAOAMAOB
SCHEMBL16318528 0.79 FFAR1 (0.52) FFAR1MAPTMAOAMAOB
SCHEMBL16318949 0.78 FFAR1 (0.50) FFAR1
SCHEMBL16318699 0.78 FFAR1 (0.50) FFAR1
SCHEMBL16318659 0.78 FFAR1 (0.48) FFAR1MAOB
SCHEMBL16319061 0.76 FFAR1 (0.49) 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
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