SCHEMBL7710023

SCHEMBL7710023

CC(=O)OCC(=O)N1CCN(c2c(F)cc(N3CC(CNC(=S)C(C)C)OC3=O)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.45
MAOA P21397 7/20 0.44
MAOB P27338 6/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
CALML3 P27482 1/20 0.44
SDHA P31040 1/20 0.44
TOP2B Q02880 1/20 0.39

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
SCHEMBL7710018 1.00 F10 (0.45) F10MAOAMAOBLMNAPTGS1
SCHEMBL6704495 0.93 F10 (0.45) F10MAOAMAOBLMNAPTGS1
SCHEMBL6704498 0.93 F10 (0.45) F10MAOAMAOBLMNAPTGS1
SCHEMBL7704368 0.92 F10 (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL7704370 0.92 F10 (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL7710459 0.90 F10 (0.48) F10MAOAMAOBLMNAPTGS1
SCHEMBL7710463 0.90 F10 (0.48) F10MAOAMAOBLMNAPTGS1
SCHEMBL7712601 0.90 MAOB (0.58) F10MAOAMAOBLMNAPTGS1
SCHEMBL7712604 0.90 MAOB (0.58) F10MAOAMAOBLMNAPTGS1
SCHEMBL7704253 0.89 F10 (0.47) F10MAOAMAOBLMNAPTGS1

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
US-6362189-B1 GRAMNEGATIVE, GRAMPOSITIVE BACTERIA PHARMACIA AND UPJOHN COMPANY 2002-03-26 US claimed