SCHEMBL7949979

SCHEMBL7949979

CCCC(=S)NCC1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.75
MAOA P21397 4/20 0.75
F10 P00742 11/20 0.66
LMNA P02545 1/20 0.61
PTGS1 P23219 1/20 0.61
CALML3 P27482 1/20 0.61
SDHA P31040 1/20 0.61

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
SCHEMBL7949974 1.00 MAOB (0.75) MAOBMAOAF10LMNAPTGS1
SCHEMBL6040238 0.93 MAOB (0.78) MAOBMAOAF10LMNAPTGS1
SCHEMBL6040236 0.93 MAOB (0.78) MAOBMAOAF10LMNAPTGS1
SCHEMBL6160301 0.90 MAOB (0.85) MAOBMAOAF10LMNAPTGS1
SCHEMBL6040542 0.90 MAOB (0.85) MAOBMAOAF10LMNAPTGS1
SCHEMBL7953651 0.89 MAOB (0.74) MAOBMAOAF10LMNAPTGS1
SCHEMBL7953654 0.89 MAOB (0.74) MAOBMAOAF10LMNAPTGS1
SCHEMBL7953629 0.89 MAOB (0.74) MAOBMAOAF10LMNAPTGS1
SCHEMBL7953623 0.89 MAOB (0.74) MAOBMAOAF10LMNAPTGS1
SCHEMBL7161224 0.88 MAOB (0.79) 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