SCHEMBL6689339

SCHEMBL6689339

COc1cc(OCc2ccc(SC(F)(F)F)cc2)ccc1CN[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.43
CD274 Q9NZQ7 3/20 0.42
MAOB P27338 6/20 0.41
PPARA Q07869 2/20 0.40
MAOA P21397 3/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN7 P35236 1/20 0.38
PDCD1 Q15116 1/20 0.37
SCN9A Q15858 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
SCHEMBL6687537 1.00 PTPRZ1 (0.43) PTPRZ1CD274MAOBPPARAMAOA
SCHEMBL6686890 0.89 PTPRZ1 (0.42) PTPRZ1CD274PDCD1
SCHEMBL6686893 0.89 PTPRZ1 (0.42) PTPRZ1CD274PDCD1
SCHEMBL6690781 0.89 MAOB (0.52) PTPRZ1CD274MAOBPPARAMAOA
SCHEMBL6688970 0.89 MAOB (0.52) PTPRZ1CD274MAOBPPARAMAOA
SCHEMBL6696899 0.89 MAOB (0.52) PTPRZ1MAOBMAOAPTPN2PTPN1
SCHEMBL6687535 0.88 ITGA4 (0.44) PTPRZ1CD274MAOBPPARAMAOA
SCHEMBL6690103 0.85 ATM (0.47) PTPRZ1CD274PDCD1
SCHEMBL6690101 0.85 ATM (0.47) PTPRZ1CD274PDCD1
SCHEMBL6688211 0.83 PTPRZ1 (0.46) PTPRZ1CD274MAOBPPARAMAOA

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