SCHEMBL7707271

SCHEMBL7707271

COCC(=O)N1CCN(c2ccc(N3CC(CNC(=S)CC(C)(C)C)OC3=O)cc2F)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.59
MAOA P21397 5/20 0.59
F10 P00742 11/20 0.58
LMNA P02545 1/20 0.57
PTGS1 P23219 1/20 0.57
CALML3 P27482 1/20 0.57
SDHA P31040 1/20 0.57

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
SCHEMBL7707266 1.00 MAOB (0.59) MAOBMAOAF10LMNAPTGS1
SCHEMBL7704266 0.94 F10 (0.66) MAOBMAOAF10LMNAPTGS1
SCHEMBL7704270 0.94 F10 (0.66) MAOBMAOAF10LMNAPTGS1
SCHEMBL7704363 0.93 MAOB (0.58) MAOBMAOAF10LMNAPTGS1
SCHEMBL7704367 0.93 MAOB (0.58) MAOBMAOAF10LMNAPTGS1
SCHEMBL7707330 0.92 F10 (0.62) MAOBMAOAF10LMNAPTGS1
SCHEMBL7707326 0.92 F10 (0.62) MAOBMAOAF10LMNAPTGS1
SCHEMBL7712761 0.91 F10 (0.57) MAOBMAOAF10LMNAPTGS1
SCHEMBL7712757 0.91 F10 (0.57) MAOBMAOAF10LMNAPTGS1
SCHEMBL7704133 0.91 MAOB (0.61) MAOBMAOAF10LMNAPTGS1

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