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Sugi Predict / Compounds / SCHEMBL4789316

SCHEMBL4789316

SCHEMBL4789316

N#CCC(=O)NCC1CN(c2ccc(-n3cc(Cn4cncn4)nn3)c(F)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.45
▸ MAOA P21397 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ CALML3 P27482 1/20 0.45
▸ SDHA P31040 1/20 0.45
▸ KCNH2 Q12809 2/20 0.43
▸ F10 P00742 13/20 0.42

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
SCHEMBL3750223 1.00 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13054662 0.89 MAOA (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13054740 0.88 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13054698 0.88 MAOA (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3753348 0.87 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13054702 0.85 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3755655 0.83 KCNH2 (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13054665 0.83 KCNH2 (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3755648 0.81 MAOA (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3755677 0.79 MAOB (0.48) MAOBMAOALMNAPTGS1CALML3

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-2008143649-A2 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2008-11-27 — — WO disclosed