SCHEMBL7710028

SCHEMBL7710028

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.60
MAOA P21397 5/20 0.60
PTGS1 P23219 2/20 0.60
SDHA P31040 2/20 0.60
LMNA P02545 1/20 0.60
CALML3 P27482 1/20 0.60
F10 P00742 9/20 0.51

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
SCHEMBL7710031 1.00 MAOB (0.60) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7709978 0.93 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7709975 0.93 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6615794 0.93 MAOB (0.70) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6615803 0.93 MAOB (0.70) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7709834 0.93 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7709831 0.93 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7712556 0.92 MAOB (0.55) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7712553 0.92 MAOB (0.55) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7712526 0.92 MAOB (0.59) 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