SCHEMBL7707254

SCHEMBL7707254

COCC(=O)N1CCN(c2ccc(N3CC(CNC(=S)C4CCCC4)OC3=O)cc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.57
MAOB P27338 8/20 0.57
MAOA P21397 4/20 0.56
PTGS1 P23219 2/20 0.56
SDHA P31040 2/20 0.56
LMNA P02545 1/20 0.56
CALML3 P27482 1/20 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
SCHEMBL7707251 1.00 F10 (0.57) F10MAOBMAOAPTGS1SDHA
SCHEMBL7710395 0.99 F10 (0.57) F10MAOBMAOAPTGS1SDHA
SCHEMBL7710399 0.99 F10 (0.57) F10MAOBMAOAPTGS1SDHA
SCHEMBL7710379 0.98 F10 (0.57) F10MAOBMAOAPTGS1SDHA
SCHEMBL7710384 0.98 F10 (0.57) F10MAOBMAOAPTGS1SDHA
SCHEMBL7710047 0.97 F10 (0.61) F10MAOBMAOAPTGS1SDHA
SCHEMBL7710042 0.97 F10 (0.61) F10MAOBMAOAPTGS1SDHA
SCHEMBL7707202 0.92 MAOB (0.57) F10MAOBMAOAPTGS1SDHA
SCHEMBL7707205 0.92 MAOB (0.57) F10MAOBMAOAPTGS1SDHA
SCHEMBL7158513 0.92 F10 (0.67) F10MAOBMAOAPTGS1SDHA

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