SCHEMBL7707306

SCHEMBL7707306

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
MAOA P21397 2/20 0.46
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46
F10 P00742 12/20 0.45
ITGB3 P05106 5/20 0.44
PRSS1 P07477 5/20 0.44
PRSS2 P07478 5/20 0.44
ITGA2B P08514 5/20 0.44
PRSS3 P35030 5/20 0.44
HTR7 P34969 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL7707310 1.00 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707135 0.91 F10 (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712578 0.91 F10 (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707138 0.91 F10 (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712575 0.91 F10 (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712769 0.90 MAOB (0.50) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7712765 0.90 MAOB (0.50) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7704196 0.90 F10 (0.43) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7704193 0.90 F10 (0.43) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7707240 0.90 F10 (0.49) MAOBF10ITGB3PRSS1PRSS2

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