SCHEMBL6685310

SCHEMBL6685310

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.42
FFAR4 Q5NUL3 3/20 0.41
FFAR1 O14842 1/20 0.41
PPARA Q07869 7/20 0.40
PTPRZ1 P23471 1/20 0.39
PPARD Q03181 1/20 0.38
ATM Q13315 1/20 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
SCHEMBL6685304 1.00 CD274 (0.42) CD274FFAR4FFAR1PPARAPTPRZ1
SCHEMBL6690101 0.90 ATM (0.47) CD274FFAR4PTPRZ1ATM
SCHEMBL6690103 0.90 ATM (0.47) CD274FFAR4PTPRZ1ATM
SCHEMBL6685864 0.89 MAOB (0.46) CD274FFAR4FFAR1PPARAPTPRZ1
SCHEMBL6685862 0.89 MAOB (0.46) CD274FFAR4FFAR1PPARAPTPRZ1
SCHEMBL6685530 0.87 FFAR4 (0.48) CD274FFAR4FFAR1PPARA
SCHEMBL6685527 0.87 FFAR4 (0.48) CD274FFAR4FFAR1PPARA
SCHEMBL6694008 0.86 PDCD1 (0.44) CD274PTPRZ1
SCHEMBL6686890 0.82 PTPRZ1 (0.42) CD274PTPRZ1ATM
SCHEMBL6686893 0.82 PTPRZ1 (0.42) CD274PTPRZ1ATM

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