SCHEMBL7710429

SCHEMBL7710429

CC(=O)OCC(=O)N1CCN(c2c(F)cc(N3CC(CNC(=S)C4CC4)OC3=O)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.46
MAOB P27338 5/20 0.45
MAOA P21397 7/20 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 0.41

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
SCHEMBL7710426 1.00 F10 (0.46) F10MAOBMAOALMNAPTGS1
SCHEMBL7704370 0.92 F10 (0.49) F10MAOBMAOALMNAPTGS1
SCHEMBL7704368 0.92 F10 (0.49) F10MAOBMAOALMNAPTGS1
SCHEMBL7704253 0.91 F10 (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL7704256 0.91 F10 (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL7710459 0.90 F10 (0.48) F10MAOBMAOALMNAPTGS1
SCHEMBL7710463 0.90 F10 (0.48) F10MAOBMAOALMNAPTGS1
SCHEMBL7704146 0.90 F10 (0.59) F10MAOBMAOALMNAPTGS1
SCHEMBL7704150 0.90 F10 (0.59) F10MAOBMAOALMNAPTGS1
SCHEMBL7710077 0.89 MAOA (0.53) 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 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