SCHEMBL7710177

SCHEMBL7710177

CCOC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)COC(C)=O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.59
MAOA P21397 4/20 0.59
PTGS1 P23219 2/20 0.59
SDHA P31040 2/20 0.59
LMNA P02545 1/20 0.59
CALML3 P27482 1/20 0.59
F10 P00742 10/20 0.58
TOP2B Q02880 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
SCHEMBL7710180 1.00 MAOB (0.59) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7704173 0.94 MAOB (0.61) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7704176 0.94 MAOB (0.61) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7704249 0.94 MAOB (0.63) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7704243 0.94 MAOB (0.63) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7704144 0.93 F10 (0.59) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7704145 0.93 F10 (0.59) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7156789 0.93 F10 (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7156795 0.93 F10 (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7710113 0.92 F10 (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-6362189-B1 GRAMNEGATIVE, GRAMPOSITIVE BACTERIA PHARMACIA AND UPJOHN COMPANY 2002-03-26 US claimed