SCHEMBL7846474

SCHEMBL7846474

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.62
MAOB P27338 8/20 0.61
MAOA P21397 4/20 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

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
Hydrochloric Acid SCHEMBL3396457 0.90 F10 (0.61) F10MAOBMAOALMNAPTGS1
SCHEMBL14344848 0.90 MAOB (0.75) F10MAOBMAOALMNAPTGS1
SCHEMBL7847103 0.89 MAOB (0.62) F10MAOBMAOALMNAPTGS1
SCHEMBL7847100 0.89 MAOB (0.62) F10MAOBMAOALMNAPTGS1
SCHEMBL7846476 0.88 MAOB (0.66) F10MAOBMAOALMNAPTGS1
SCHEMBL7846473 0.88 MAOB (0.66) F10MAOBMAOALMNAPTGS1
SCHEMBL3397364 0.88 MAOB (0.66) F10MAOBMAOALMNAPTGS1
SCHEMBL3394922 0.88 MAOB (0.67) F10MAOBMAOALMNAPTGS1
SCHEMBL3395073 0.87 MAOB (0.64) F10MAOBMAOALMNAPTGS1
SCHEMBL3398269 0.87 MAOB (0.62) 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
EP-1130016-A1 THIOCARBAMIC ACID DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2001-09-05 EP disclosed