SCHEMBL7953683

SCHEMBL7953683

CC(C)C(=S)NCC1CN(c2cc(F)c(N3CCSCC3)c(F)c2)C(=O)O1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.58
MAOB P27338 4/20 0.58
F10 P00742 11/20 0.54
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46

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
SCHEMBL7953680 1.00 MAOA (0.58) MAOAMAOBF10LMNAPTGS1
SCHEMBL7156347 0.89 MAOA (0.67) MAOAMAOBF10LMNAPTGS1
SCHEMBL7156354 0.89 MAOA (0.67) MAOAMAOBF10LMNAPTGS1
SCHEMBL7528449 0.88 MAOB (0.77) MAOAMAOBF10LMNAPTGS1
SCHEMBL7528443 0.88 MAOB (0.77) MAOAMAOBF10LMNAPTGS1
SCHEMBL7158235 0.87 MAOA (0.59) MAOAMAOBF10LMNAPTGS1
SCHEMBL7943362 0.87 MAOA (0.59) MAOAMAOBF10LMNAPTGS1
SCHEMBL7709926 0.87 MAOB (0.62) MAOAMAOBF10LMNAPTGS1
SCHEMBL7709923 0.87 MAOB (0.62) MAOAMAOBF10LMNAPTGS1
SCHEMBL7707218 0.87 MAOB (0.44) MAOAMAOBF10LMNAPTGS1

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-6255304-B1 AIDS THERAPY PHARMACIA & UPJOHN COMPANY 2001-07-03 US claimed