SCHEMBL7846944

SCHEMBL7846944

CN(C(O)=S)[C@@H]1CN(c2ccc(N3CCNCC3)c(F)c2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.51
MAOB P27338 12/20 0.46
MAOA P21397 6/20 0.46
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46
KCNH2 Q12809 1/20 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
SCHEMBL3395911 1.00 F10 (0.51) F10MAOBMAOALMNAPTGS1
SCHEMBL6506664 0.91 F10 (0.54) F10MAOBMAOALMNAPTGS1
SCHEMBL3394104 0.90 F10 (0.51) F10MAOBMAOALMNAPTGS1
SCHEMBL8863005 0.89 F10 (0.54) F10MAOBMAOALMNAPTGS1
Hydrochloric Acid SCHEMBL8574357 0.88 F10 (0.53) F10MAOBMAOALMNAPTGS1
SCHEMBL3395068 0.84 MAOB (0.51) F10MAOBMAOALMNAPTGS1
SCHEMBL3394919 0.84 MAOB (0.56) F10MAOBMAOALMNAPTGS1
SCHEMBL3397361 0.84 MAOB (0.53) F10MAOBMAOALMNAPTGS1
SCHEMBL3397039 0.83 MAOB (0.46) F10MAOBMAOALMNAPTGS1
Hydrochloric Acid SCHEMBL3396453 0.83 MAOB (0.51) 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