SCHEMBL7707219

SCHEMBL7707219

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

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.66
MAOA P21397 4/20 0.66
PTGS1 P23219 2/20 0.62
SDHA P31040 2/20 0.62
LMNA P02545 1/20 0.62
CALML3 P27482 1/20 0.62
F10 P00742 10/20 0.54

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
SCHEMBL7707217 1.00 MAOB (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7707221 1.00 MAOB (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7712608 0.92 MAOB (0.69) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7712606 0.92 MAOB (0.69) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7710500 0.92 MAOB (0.58) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7152495 0.92 F10 (0.65) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7152502 0.92 F10 (0.65) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7710495 0.92 MAOB (0.58) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7710504 0.92 MAOB (0.58) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7152491 0.92 F10 (0.65) 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