SCHEMBL7707213

SCHEMBL7707213

CCC(=S)NCC1CN(c2ccc(N3CCN(C(=O)CC#N)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.59
MAOB P27338 7/20 0.58
MAOA P21397 4/20 0.58
LMNA P02545 1/20 0.58
PTGS1 P23219 1/20 0.58
CALML3 P27482 1/20 0.58
SDHA P31040 1/20 0.58

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
SCHEMBL7707211 1.00 F10 (0.59) F10MAOBMAOALMNAPTGS1
SCHEMBL7704366 0.93 MAOB (0.63) F10MAOBMAOALMNAPTGS1
SCHEMBL7704371 0.93 MAOB (0.63) F10MAOBMAOALMNAPTGS1
SCHEMBL7712617 0.90 MAOB (0.61) F10MAOBMAOALMNAPTGS1
SCHEMBL7712620 0.90 MAOB (0.61) F10MAOBMAOALMNAPTGS1
SCHEMBL6158660 0.90 F10 (0.71) F10MAOBMAOALMNAPTGS1
SCHEMBL6158654 0.90 F10 (0.71) F10MAOBMAOALMNAPTGS1
SCHEMBL7707245 0.90 MAOB (0.57) F10MAOBMAOALMNAPTGS1
SCHEMBL7707249 0.90 MAOB (0.57) F10MAOBMAOALMNAPTGS1
SCHEMBL6040691 0.89 MAOB (0.63) 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-6362189-B1 GRAMNEGATIVE, GRAMPOSITIVE BACTERIA PHARMACIA AND UPJOHN COMPANY 2002-03-26 US claimed