SCHEMBL7710044

SCHEMBL7710044

CCOC(=O)N1CCN(c2c(F)cc(N3CC(CNC(=S)OC)OC3=O)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.47
MAOB P27338 5/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 1/20 0.47
TOP2B Q02880 1/20 0.46
F10 P00742 6/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGB3 P05106 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
ITGA2B P08514 1/20 0.42
PRSS3 P35030 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7710043 1.00 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710445 0.94 MAOB (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710449 0.94 MAOB (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7712747 0.92 MAOA (0.50) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7712744 0.92 MAOA (0.50) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7704365 0.91 MAOB (0.46) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7704362 0.91 MAOB (0.46) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710257 0.90 MAOA (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710260 0.90 MAOA (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710241 0.90 MAOA (0.44) MAOAMAOBLMNAPTGS1CALML3

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