SCHEMBL7707135

SCHEMBL7707135

COC(=S)NC[C@H]1CN(c2ccc(N3CCN(S(=O)(=O)CC#N)CC3)cc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.44
MAOB P27338 3/20 0.42
LMNA P02545 2/20 0.42
MAOA P21397 2/20 0.42
PTGS1 P23219 1/20 0.42
CALML3 P27482 1/20 0.42
SDHA P31040 1/20 0.42
ITGB3 P05106 4/20 0.41
PRSS1 P07477 4/20 0.41
PRSS2 P07478 4/20 0.41
ITGA2B P08514 4/20 0.41
PRSS3 P35030 4/20 0.41
HTR7 P34969 1/20 0.41
F2 P00734 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL7707138 1.00 F10 (0.44) F10MAOBLMNAMAOAPTGS1
SCHEMBL7707310 0.91 MAOB (0.46) F10MAOBLMNAMAOAPTGS1
SCHEMBL7707306 0.91 MAOB (0.46) F10MAOBLMNAMAOAPTGS1
SCHEMBL7707152 0.90 F10 (0.48) F10MAOBLMNAMAOAPTGS1
SCHEMBL7707151 0.90 F10 (0.48) F10MAOBLMNAMAOAPTGS1
SCHEMBL7712575 0.89 F10 (0.46) F10MAOBLMNAMAOAPTGS1
SCHEMBL7712578 0.89 F10 (0.46) F10MAOBLMNAMAOAPTGS1
SCHEMBL7709975 0.89 MAOB (0.56) F10MAOBLMNAMAOAPTGS1
SCHEMBL7709978 0.89 MAOB (0.56) F10MAOBLMNAMAOAPTGS1
SCHEMBL7704196 0.88 F10 (0.43) F10MAOBLMNAMAOAPTGS1

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