SCHEMBL6687667

SCHEMBL6687667

COc1cc(OCc2c(F)cccc2Cl)ccc1CN[C@@H](C)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.59
MAOA P21397 3/20 0.59
SCN9A Q15858 2/20 0.51
EGFR P00533 1/20 0.51
CD274 Q9NZQ7 1/20 0.50
LMNA P02545 1/20 0.47
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
STING1 Q86WV6 1/20 0.44

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
SCHEMBL6687664 1.00 MAOB (0.59) MAOBMAOASCN9AEGFRCD274
SCHEMBL6686194 0.89 MAOB (0.50) MAOBMAOASCN9AEGFRCD274
SCHEMBL6686184 0.89 MAOB (0.50) MAOBMAOASCN9AEGFRCD274
SCHEMBL6685482 0.89 MAOB (0.47) MAOBMAOASCN9AEGFRCD274
SCHEMBL6685476 0.89 MAOB (0.47) MAOBMAOASCN9AEGFRCD274
SCHEMBL6690944 0.86 MAOB (0.48) MAOBMAOAEGFRCD274LMNA
SCHEMBL6687860 0.85 MAOB (0.45) MAOBMAOACD274LMNAPARP15
SCHEMBL6687864 0.85 MAOB (0.45) MAOBMAOACD274LMNAPARP15
SCHEMBL6693470 0.84 LMNA (0.44) MAOBMAOACD274LMNAPARP15
SCHEMBL6687637 0.79 MAOB (0.57) MAOBMAOASCN9A

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