SCHEMBL7951672

SCHEMBL7951672

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

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.78
MAOA P21397 4/20 0.78
F10 P00742 12/20 0.68
LMNA P02545 1/20 0.62
PTGS1 P23219 1/20 0.62
CALML3 P27482 1/20 0.62
SDHA P31040 1/20 0.62

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
SCHEMBL7951674 1.00 MAOB (0.78) MAOBMAOAF10LMNAPTGS1
SCHEMBL7160799 0.96 MAOB (0.73) MAOBMAOAF10LMNAPTGS1
SCHEMBL7160797 0.96 MAOB (0.73) MAOBMAOAF10LMNAPTGS1
SCHEMBL6040542 0.92 MAOB (0.85) MAOBMAOAF10LMNAPTGS1
SCHEMBL6160301 0.92 MAOB (0.85) MAOBMAOAF10LMNAPTGS1
SCHEMBL7158333 0.91 MAOB (0.67) MAOBMAOAF10LMNAPTGS1
SCHEMBL7158328 0.91 MAOB (0.67) MAOBMAOAF10LMNAPTGS1
SCHEMBL6161258 0.90 MAOB (0.78) MAOBMAOAF10LMNAPTGS1
SCHEMBL6161255 0.90 MAOB (0.78) MAOBMAOAF10LMNAPTGS1
SCHEMBL7161224 0.90 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