SCHEMBL7710131

SCHEMBL7710131

CN(C)S(=O)(=O)N1CCN(c2ccc(N3C[C@H](CNC(=S)C4CC4)OC3=O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.50
ITGB3 P05106 9/20 0.50
ITGA2B P08514 9/20 0.50
PRSS1 P07477 6/20 0.50
PRSS2 P07478 6/20 0.50
PRSS3 P35030 6/20 0.50
F2 P00734 4/20 0.50
MAOB P27338 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7710133 1.00 F10 (0.50) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7707088 0.90 F10 (0.53) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7707085 0.90 F10 (0.53) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7710193 0.89 F10 (0.48) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7710190 0.89 F10 (0.48) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7709912 0.89 F10 (0.48) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7709911 0.89 F10 (0.48) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6620052 0.89 F10 (0.52) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7710430 0.89 F10 (0.52) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7709871 0.88 F10 (0.53) F10ITGB3ITGA2BPRSS1PRSS2

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