SCHEMBL28564985

SCHEMBL28564985

O=C(NCC1CN(c2ccc(N3CCC4(CC3)CS(=O)(=O)C4)c(F)c2)C(=O)O1)c1ccco1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.59
MAOB P27338 4/20 0.55
MAOA P21397 2/20 0.54
LMNA P02545 1/20 0.54
PTGS1 P23219 1/20 0.54
CALML3 P27482 1/20 0.54
SDHA P31040 1/20 0.54

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
SCHEMBL21634724 1.00 F10 (0.59) F10MAOBMAOALMNAPTGS1
SCHEMBL21634725 0.94 F10 (0.57) F10MAOBMAOALMNAPTGS1
SCHEMBL28562133 0.91 F10 (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL21634755 0.91 F10 (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL4093748 0.86 MAOB (0.73) F10MAOBMAOALMNAPTGS1
SCHEMBL21634714 0.86 MAOA (0.73) F10MAOBMAOALMNAPTGS1
SCHEMBL28553126 0.86 MAOA (0.73) F10MAOBMAOALMNAPTGS1
SCHEMBL21635083 0.86 F10 (0.75) F10MAOBMAOALMNAPTGS1
SCHEMBL21634750 0.86 F10 (0.57) F10MAOBMAOALMNAPTGS1
SCHEMBL28554645 0.86 F10 (0.75) F10MAOBMAOALMNAPTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112543756-A Substituted oxazolidinones for the treatment of mammalian infections 卡迪拉保健有限公司 2021-03-23 CN claimed
CN-112543756-A Substituted oxazolidinones for the treatment of mammalian infections 卡迪拉保健有限公司 2021-03-23 CN disclosed