SCHEMBL7675015

SCHEMBL7675015

O=C(CO)N1CCN(c2c(F)cccc2N2C[C@H](CNC(=S)N3CCC3)OC2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.50
MAOB P27338 5/20 0.40
MAOA P21397 4/20 0.40
LMNA P02545 1/20 0.40
PTGS1 P23219 1/20 0.40
CALML3 P27482 1/20 0.40
SDHA P31040 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7675024 1.00 F10 (0.50) F10MAOBMAOALMNAPTGS1
SCHEMBL7527213 0.87 MAOB (0.51) F10MAOBMAOALMNAPTGS1
SCHEMBL7527221 0.87 MAOB (0.51) F10MAOBMAOALMNAPTGS1
SCHEMBL6040339 0.83 F10 (0.70) F10MAOBMAOALMNAPTGS1
SCHEMBL6040334 0.83 F10 (0.70) F10MAOBMAOALMNAPTGS1
SCHEMBL7953617 0.77 MAOB (0.58) F10MAOBMAOALMNAPTGS1
SCHEMBL6040390 0.76 F10 (0.57) F10MAOBMAOALMNAPTGS1
SCHEMBL6040400 0.76 F10 (0.57) F10MAOBMAOALMNAPTGS1
SCHEMBL7710519 0.76 F10 (0.60) F10MAOBMAOALMNAPTGS1
SCHEMBL7710515 0.76 F10 (0.60) 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-6342513-B1 THIOCARBONYLAMIDES ON OXAZO-, ISOOXAZOLE OR FURANONE RINGS FOR USE AS BACTERICIDES PHARMACIA AND UPJOHN COMPANY 2002-01-29 US disclosed