SCHEMBL7710179

SCHEMBL7710179

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.48
F2 P00734 1/20 0.44
MAOB P27338 2/20 0.44
LMNA P02545 1/20 0.44
MAOA P21397 1/20 0.44
PTGS1 P23219 1/20 0.44
CALML3 P27482 1/20 0.44
SDHA P31040 1/20 0.44
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43

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
SCHEMBL7710181 1.00 F10 (0.48) F10F2MAOBLMNAMAOA
SCHEMBL7707152 0.93 F10 (0.48) F10F2MAOBLMNAMAOA
SCHEMBL7707151 0.93 F10 (0.48) F10F2MAOBLMNAMAOA
SCHEMBL7704121 0.90 F10 (0.49) F10F2MAOBLMNAMAOA
SCHEMBL7704119 0.90 F10 (0.49) F10F2MAOBLMNAMAOA
SCHEMBL7707258 0.89 F10 (0.48) F10F2MAOBLMNAMAOA
SCHEMBL7709872 0.89 F10 (0.48) F10F2MAOBLMNAMAOA
SCHEMBL7709869 0.89 F10 (0.48) F10F2MAOBLMNAMAOA
SCHEMBL7707262 0.89 F10 (0.48) F10F2MAOBLMNAMAOA
SCHEMBL7710200 0.88 MAOB (0.59) 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