SCHEMBL7710113

SCHEMBL7710113

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.60
MAOB P27338 7/20 0.59
MAOA P21397 4/20 0.59
LMNA P02545 1/20 0.59
PTGS1 P23219 1/20 0.59
CALML3 P27482 1/20 0.59
SDHA P31040 1/20 0.59
TOP2B Q02880 1/20 0.49

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
SCHEMBL7710117 1.00 F10 (0.60) F10MAOBMAOALMNAPTGS1
SCHEMBL7707396 0.94 MAOB (0.57) F10MAOBMAOALMNAPTGS1
SCHEMBL7707394 0.94 MAOB (0.57) F10MAOBMAOALMNAPTGS1
SCHEMBL7704243 0.94 MAOB (0.63) F10MAOBMAOALMNAPTGS1
SCHEMBL7704249 0.94 MAOB (0.63) F10MAOBMAOALMNAPTGS1
SCHEMBL6040375 0.92 F10 (0.59) F10MAOBMAOALMNAPTGS1
SCHEMBL7710180 0.92 MAOB (0.59) F10MAOBMAOALMNAPTGS1
SCHEMBL7710177 0.92 MAOB (0.59) F10MAOBMAOALMNAPTGS1
SCHEMBL7707330 0.92 F10 (0.62) F10MAOBMAOALMNAPTGS1
SCHEMBL7704173 0.92 MAOB (0.61) 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