SCHEMBL7710407

SCHEMBL7710407

CC(=O)N1CCN(c2c(F)cc(N3C[C@H](CNC(=S)C(C)C)OC3=O)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.53
MAOB P27338 6/20 0.53
LMNA P02545 1/20 0.49
PTGS1 P23219 1/20 0.49
CALML3 P27482 1/20 0.49
SDHA P31040 1/20 0.49
F10 P00742 5/20 0.43

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
SCHEMBL7710410 1.00 MAOA (0.53) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710067 0.91 MAOA (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710064 0.91 MAOA (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710532 0.91 MAOA (0.58) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710535 0.91 MAOA (0.58) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710237 0.89 MAOA (0.44) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710241 0.89 MAOA (0.44) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710023 0.89 F10 (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7710018 0.89 F10 (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7712606 0.88 MAOB (0.69) 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