SCHEMBL7707300

SCHEMBL7707300

CC(C)C(=S)NC[C@H]1CN(c2cc(F)c(N3CCN(C(=O)CC#N)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.43
MAOA P21397 7/20 0.43
MAOB P27338 5/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
CALML3 P27482 1/20 0.43
SDHA P31040 1/20 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
SCHEMBL7707302 1.00 F10 (0.43) F10MAOAMAOBLMNAPTGS1
SCHEMBL7709980 0.91 MAOA (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL7709976 0.91 MAOA (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL7707245 0.90 MAOB (0.57) F10MAOAMAOBLMNAPTGS1
SCHEMBL7707249 0.90 MAOB (0.57) F10MAOAMAOBLMNAPTGS1
SCHEMBL7710065 0.89 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL7709903 0.89 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL7710070 0.89 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL7709906 0.89 F10 (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL7710410 0.88 MAOA (0.53) F10MAOAMAOBLMNAPTGS1

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