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Sugi Predict / Compounds / SCHEMBL7710280

SCHEMBL7710280

SCHEMBL7710280

CCOC(=O)N1CCN(c2ccc(N3CC(CNC(C)=S)OC3=O)cc2F)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.65
▸ MAOA P21397 4/20 0.65
▸ LMNA P02545 1/20 0.65
▸ PTGS1 P23219 1/20 0.65
▸ CALML3 P27482 1/20 0.65
▸ SDHA P31040 1/20 0.65
▸ F10 P00742 10/20 0.57
▸ TOP2B Q02880 1/20 0.56
▸ L3MBTL1 Q9Y468 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
SCHEMBL7710278 1.00 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710116 0.95 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710119 0.95 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712684 0.94 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712678 0.94 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL14612500 0.94 MAOB (0.74) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710162 0.93 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7710157 0.93 MAOB (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7709928 0.93 MAOB (0.67) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7709933 0.93 MAOB (0.67) MAOBMAOALMNAPTGS1CALML3

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