SCHEMBL6685530

SCHEMBL6685530

Cc1cc(CN[C@@H](Cc2ccccc2)C(N)=O)ccc1OCc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.48
FFAR1 O14842 3/20 0.48
CD274 Q9NZQ7 4/20 0.44
OPRK1 P41145 1/20 0.43
PPARA Q07869 6/20 0.42
PPARG P37231 1/20 0.40

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
SCHEMBL6685527 1.00 FFAR4 (0.48) FFAR4FFAR1CD274OPRK1PPARA
SCHEMBL6685304 0.87 CD274 (0.42) FFAR4FFAR1CD274PPARA
SCHEMBL6685310 0.87 CD274 (0.42) FFAR4FFAR1CD274PPARA
SCHEMBL6685864 0.85 MAOB (0.46) FFAR4FFAR1CD274PPARA
SCHEMBL6685862 0.85 MAOB (0.46) FFAR4FFAR1CD274PPARA
SCHEMBL6691341 0.85 PTPRZ1 (0.53) PPARG
SCHEMBL6694003 0.83 BCHE (0.44) FFAR4CD274
SCHEMBL6694007 0.83 BCHE (0.44) FFAR4CD274
SCHEMBL6687567 0.83 PPARG (0.42) FFAR4CD274PPARG
SCHEMBL6687562 0.83 PPARG (0.42) FFAR4CD274PPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087125-A1 AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2004-10-14 WO disclosed