SCHEMBL7709852

SCHEMBL7709852

COC(=S)NCC1CN(c2cc(F)c(N3CCN(S(=O)(=O)N(C)C)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.45
MAOA P21397 6/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
F10 P00742 7/20 0.40

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
SCHEMBL7709849 1.00 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707291 0.91 MAOB (0.49) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707295 0.91 MAOB (0.49) MAOBMAOALMNAPTGS1CALML3
SCHEMBL10153000 0.90 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710111 0.90 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710108 0.90 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7709842 0.90 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7709845 0.90 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707318 0.90 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707321 0.90 MAOB (0.59) 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