SCHEMBL7846483

SCHEMBL7846483

CS(=O)(=O)NCCCN1CCN(c2ccc(N3C[C@H](CNC(O)=S)OC3=O)cc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.61
MAOA P21397 5/20 0.55
LMNA P02545 1/20 0.55
PTGS1 P23219 1/20 0.55
CALML3 P27482 1/20 0.55
SDHA P31040 1/20 0.55
F10 P00742 9/20 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
SCHEMBL7846487 1.00 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7846481 0.91 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7850774 0.87 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7850777 0.87 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3398269 0.85 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7850684 0.84 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7850692 0.84 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7846476 0.81 MAOB (0.66) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7846473 0.81 MAOB (0.66) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7704216 0.81 MAOB (0.65) 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
EP-1130016-A1 THIOCARBAMIC ACID DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2001-09-05 EP disclosed