SCHEMBL7712684

SCHEMBL7712684

CCOC(=O)N1CCN(c2ccc(N3CC(CNC(=S)OC)OC3=O)cc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.61
MAOA P21397 4/20 0.61
LMNA P02545 1/20 0.61
PTGS1 P23219 1/20 0.61
CALML3 P27482 1/20 0.61
SDHA P31040 1/20 0.61
F10 P00742 10/20 0.56
TOP2B Q02880 1/20 0.53

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
SCHEMBL7712678 1.00 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710119 0.96 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710116 0.96 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7709970 0.94 MAOB (0.60) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7709973 0.94 MAOB (0.60) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710280 0.94 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710278 0.94 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707287 0.94 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707286 0.94 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3393512 0.93 MAOB (0.57) 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
US-6362189-B1 GRAMNEGATIVE, GRAMPOSITIVE BACTERIA PHARMACIA AND UPJOHN COMPANY 2002-03-26 US claimed