SCHEMBL7704192

SCHEMBL7704192

CCCC(=S)NCC1CN(c2ccc(N3CCN(C(=O)CO)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.67
MAOB P27338 8/20 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

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
SCHEMBL7704187 1.00 F10 (0.67) F10MAOBMAOAPTGS1SDHA
SCHEMBL6158660 0.93 F10 (0.71) F10MAOBMAOAPTGS1SDHA
SCHEMBL6158654 0.93 F10 (0.71) F10MAOBMAOAPTGS1SDHA
SCHEMBL7707348 0.93 F10 (0.58) F10MAOBMAOAPTGS1SDHA
SCHEMBL7707345 0.93 F10 (0.58) F10MAOBMAOAPTGS1SDHA
SCHEMBL7710431 0.92 MAOB (0.68) F10MAOBMAOAPTGS1SDHA
SCHEMBL7710435 0.92 MAOB (0.68) F10MAOBMAOAPTGS1SDHA
SCHEMBL7707396 0.91 MAOB (0.57) F10MAOBMAOAPTGS1SDHA
SCHEMBL7707394 0.91 MAOB (0.57) F10MAOBMAOAPTGS1SDHA
SCHEMBL6160239 0.91 F10 (0.72) 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