SCHEMBL7950993

SCHEMBL7950993

CN(C[C@@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1)C(O)=S

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.65
MAOA P21397 5/20 0.65
F10 P00742 8/20 0.57
LMNA P02545 1/20 0.52
PTGS1 P23219 1/20 0.52
CALML3 P27482 1/20 0.52
SDHA P31040 1/20 0.52

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
SCHEMBL7950997 1.00 MAOB (0.65) MAOBMAOAF10LMNAPTGS1
SCHEMBL7161231 0.92 MAOB (0.64) MAOBMAOAF10LMNAPTGS1
SCHEMBL7161232 0.92 MAOB (0.64) MAOBMAOAF10LMNAPTGS1
SCHEMBL7158337 0.90 MAOB (0.65) MAOBMAOAF10LMNAPTGS1
SCHEMBL7158330 0.90 MAOB (0.65) MAOBMAOAF10LMNAPTGS1
SCHEMBL5391578 0.85 MAOB (0.51) MAOBMAOAF10LMNAPTGS1
SCHEMBL5390489 0.84 MAOB (0.50) MAOBMAOAF10LMNAPTGS1
SCHEMBL5382255 0.83 MAOB (0.50) MAOBMAOAF10LMNAPTGS1
SCHEMBL5388137 0.83 MAOB (0.51) MAOBMAOAF10LMNAPTGS1
SCHEMBL7157540 0.83 MAOB (0.77) MAOBMAOAF10LMNAPTGS1

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