SCHEMBL7712602

SCHEMBL7712602

CCOC(=O)N1CCN(c2ccc(N3CC(CNC(=S)C(C)CC)OC3=O)cc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.57
MAOA P21397 4/20 0.57
LMNA P02545 1/20 0.57
PTGS1 P23219 1/20 0.57
CALML3 P27482 1/20 0.57
SDHA P31040 1/20 0.57
F10 P00742 10/20 0.52
TOP2B Q02880 1/20 0.51

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
SCHEMBL7712599 1.00 MAOB (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712594 1.00 MAOB (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710504 0.94 MAOB (0.58) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710500 0.94 MAOB (0.58) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710495 0.94 MAOB (0.58) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7709846 0.94 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7709843 0.94 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707217 0.91 MAOB (0.66) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707221 0.91 MAOB (0.66) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707219 0.91 MAOB (0.66) 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