SCHEMBL6696899

SCHEMBL6696899

CC(C)CC(NCc1ccc(OCc2ccc(SC(F)(F)F)cc2)cc1Cl)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.52
MAOA P21397 4/20 0.52
PTPRZ1 P23471 1/20 0.44
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN7 P35236 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL6689339 0.89 PTPRZ1 (0.43) MAOBMAOAPTPRZ1PTPN2PTPN1
SCHEMBL6687537 0.89 PTPRZ1 (0.43) MAOBMAOAPTPRZ1PTPN2PTPN1
SCHEMBL6689649 0.87 MAOB (0.51) MAOBMAOAPTPRZ1PTPN1
SCHEMBL6686890 0.81 PTPRZ1 (0.42) PTPRZ1
SCHEMBL6686893 0.81 PTPRZ1 (0.42) PTPRZ1
SCHEMBL6687186 0.80 MAOB (0.46) MAOBMAOAPTPRZ1PTPN2PTPN1
SCHEMBL6685310 0.80 CD274 (0.42) PTPRZ1
SCHEMBL6685304 0.80 CD274 (0.42) PTPRZ1
SCHEMBL6690101 0.79 ATM (0.47) PTPRZ1
SCHEMBL6690103 0.79 ATM (0.47) PTPRZ1

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