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Sugi Predict / Compounds / SCHEMBL6989984

SCHEMBL6989984

SCHEMBL6989984

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)OC2(Nc3cccc(C(=N)N)c3)CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.46
▸ PRSS1 P07477 8/20 0.46
▸ F2 P00734 5/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 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
SCHEMBL6994642 0.92 F10 (0.36) F10PRSS1F2KCNH2PRSS2
SCHEMBL6995380 0.91 F10 (0.46) F10PRSS1F2KCNH2PRSS2
SCHEMBL6992976 0.91 F10 (0.51) F10PRSS1F2KCNH2PRSS2
SCHEMBL6996086 0.90 F10 (0.57) F10PRSS1F2KCNH2PRSS2
SCHEMBL7091514 0.85 F10 (0.39) F10
Acetic Acid SCHEMBL7080659 0.85 F10 (0.48) F10PRSS1F2KCNH2PRSS2
SCHEMBL6987255 0.82 FPR2 (0.37) F10PRSS1F2KCNH2PRSS2
SCHEMBL6995749 0.82 F10 (0.36) F10PRSS1F2KCNH2PRSS2
SCHEMBL7078190 0.82 F10 (0.51) F10PRSS1F2KCNH2PRSS2
SCHEMBL6988979 0.81 F10 (0.49) F10PRSS1F2KCNH2PRSS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303482-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-23 — — EP disclosed
WO-2002008177-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-31 — — WO disclosed