Sugi Predict

Sugi Predict / Compounds / SCHEMBL6986717

SCHEMBL6986717

SCHEMBL6986717

CCOC(=O)ON1CCN(c2cccc(C(=N)N)c2)C(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.52
▸ PRSS1 P07477 15/20 0.52
▸ PLG P00747 1/20 0.52
▸ PROC P04070 1/20 0.52
▸ F2 P00734 12/20 0.52
▸ PRSS2 P07478 9/20 0.52
▸ PRSS3 P35030 9/20 0.52
▸ F9 P00740 1/20 0.52

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
SCHEMBL6988305 0.94 PRSS1 (0.52) F10PRSS1PLGPROCF2
SCHEMBL7060816 0.90 F10 (0.55) F10PRSS1PLGPROCF2
SCHEMBL7062939 0.84 PRSS1 (0.54) F10PRSS1PLGPROCF2
SCHEMBL7062348 0.82 F10 (0.63) F10PRSS1PLGPROCF2
SCHEMBL7064277 0.82 F10 (0.56) F10PRSS1PLGPROCF2
SCHEMBL7059855 0.81 F10 (0.62) F10PRSS1PLGPROCF2
SCHEMBL7062357 0.80 F10 (0.61) F10PRSS1PLGPROCF2
SCHEMBL7064745 0.79 F10 (0.59) F10PRSS1PLGPROCF2
SCHEMBL7060823 0.77 PRSS1 (0.53) F10PRSS1PLGPROCF2
SCHEMBL7065720 0.77 F10 (0.61) F10PRSS1PLGPROCF2

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-1301506-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-16 — — EP disclosed
WO-2002006269-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-24 — — WO disclosed