SCHEMBL7675697

SCHEMBL7675697

CN(C[C@@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C(=S)S

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.66
MAOA P21397 6/20 0.64
PTGS1 P23219 2/20 0.64
SDHA P31040 2/20 0.64
LMNA P02545 1/20 0.64
CALML3 P27482 1/20 0.64
F10 P00742 5/20 0.56

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
SCHEMBL27441526 0.91 MAOB (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL27441524 0.91 MAOB (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL17471499 0.89 MAOB (0.71) MAOBMAOAPTGS1SDHALMNA
SCHEMBL3397692 0.85 MAOB (0.61) MAOBMAOAPTGS1SDHALMNA
SCHEMBL14276050 0.83 MAOB (0.72) MAOBMAOAPTGS1SDHALMNA
SCHEMBL14706888 0.83 MAOB (0.72) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7953644 0.82 MAOB (0.76) MAOBMAOAPTGS1SDHALMNA
SCHEMBL11925017 0.82 MAOB (0.68) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7953646 0.82 MAOB (0.76) MAOBMAOAPTGS1SDHALMNA
SCHEMBL19512265 0.82 MAOB (0.60) MAOBMAOAPTGS1SDHALMNA

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-6342513-B1 THIOCARBONYLAMIDES ON OXAZO-, ISOOXAZOLE OR FURANONE RINGS FOR USE AS BACTERICIDES PHARMACIA AND UPJOHN COMPANY 2002-01-29 US disclosed