SCHEMBL6158660

SCHEMBL6158660

CCC(=S)NCC1CN(c2ccc(N3CCN(C(=O)CO)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.71
MAOB P27338 7/20 0.62
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
SCHEMBL6158654 1.00 F10 (0.71) F10MAOBMAOALMNAPTGS1
SCHEMBL7704192 0.93 F10 (0.67) F10MAOBMAOALMNAPTGS1
SCHEMBL6040546 0.93 F10 (0.63) F10MAOBMAOALMNAPTGS1
SCHEMBL7704187 0.93 F10 (0.67) F10MAOBMAOALMNAPTGS1
SCHEMBL7707330 0.93 F10 (0.62) F10MAOBMAOALMNAPTGS1
SCHEMBL7707326 0.93 F10 (0.62) F10MAOBMAOALMNAPTGS1
SCHEMBL6040691 0.92 MAOB (0.63) F10MAOBMAOALMNAPTGS1
SCHEMBL6160239 0.92 F10 (0.72) F10MAOBMAOALMNAPTGS1
SCHEMBL6160243 0.92 F10 (0.72) F10MAOBMAOALMNAPTGS1
SCHEMBL6040268 0.92 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
EP-1242395-B1 BENZOIC ACID ESTERS OF OXAZOLIDINONES HAVING A HYDROXYACETYLPIPERAZINE SUBSTITUENT UPJOHN CO (US) 2005-02-02 EP claimed