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Sugi Predict / Compounds / SCHEMBL28837348

SCHEMBL28837348

SCHEMBL28837348

C=CN(C)[C@@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 13/20 0.57
▸ MAOA P21397 6/20 0.57
▸ PTGS1 P23219 2/20 0.57
▸ SDHA P31040 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ CALML3 P27482 1/20 0.57
▸ F10 P00742 3/20 0.49
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40

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
SCHEMBL28837350 1.00 MAOB (0.57) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8824951 0.91 MAOB (0.58) MAOBMAOAPTGS1SDHALMNA
SCHEMBL15451063 0.84 MAOB (0.57) MAOBMAOAPTGS1SDHALMNA
SCHEMBL24574046 0.84 MAOB (0.65) MAOBMAOAPTGS1SDHALMNA
SCHEMBL12477510 0.84 MAOB (0.65) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5472893 0.84 MAOB (0.62) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8824975 0.84 MAOB (0.65) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8824935 0.81 MAOB (0.62) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8824976 0.81 MAOB (0.62) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5765753 0.81 MAOB (0.60) MAOBMAOAPTGS1SDHALMNA

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
CN-106279054-A Linezolid and the new preparation process of new intermediate thereof 李药业有限公司 2017-01-04 — — CN disclosed