SCHEMBL7707229

SCHEMBL7707229

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 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
F10 P00742 10/20 0.56

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
SCHEMBL6633028 1.00 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712718 0.95 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712732 0.95 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712687 0.94 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712692 0.94 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710102 0.94 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710096 0.94 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6632039 0.93 MAOB (0.66) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707268 0.93 MAOB (0.66) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7709834 0.93 MAOB (0.56) 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
US-6362189-B1 GRAMNEGATIVE, GRAMPOSITIVE BACTERIA PHARMACIA AND UPJOHN COMPANY 2002-03-26 US claimed