SCHEMBL7709971

SCHEMBL7709971

CNC(=S)NC[C@H]1CN(c2ccc(N3CCN(S(N)(=O)=O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.61
MAOA P21397 5/20 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 0.53

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
SCHEMBL7709974 1.00 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7709888 0.92 MAOB (0.66) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7709893 0.92 MAOB (0.66) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710097 0.90 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710101 0.90 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712692 0.89 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712687 0.89 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7709858 0.89 MAOB (0.60) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7704364 0.89 MAOB (0.60) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7704360 0.89 MAOB (0.60) 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