Sugi Predict

Sugi Predict / Compounds / SCHEMBL6988581

SCHEMBL6988581

SCHEMBL6988581

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)O[C@H]2CCCN2c2cccc(C(=N)N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 17/20 0.48
▸ F2 P00734 16/20 0.48
▸ PRSS2 P07478 16/20 0.48
▸ PRSS3 P35030 16/20 0.48
▸ F10 P00742 16/20 0.48
▸ F9 P00740 1/20 0.48
▸ FPR2 P25090 2/20 0.46
▸ FPR1 P21462 1/20 0.46

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
SCHEMBL6988637 0.92 FPR2 (0.46) PRSS1F2PRSS2PRSS3F10
SCHEMBL6986473 0.90 F10 (0.58) PRSS1F2PRSS2PRSS3F10
SCHEMBL6988335 0.88 F2 (0.57) PRSS1F2PRSS2PRSS3F10
SCHEMBL7064681 0.87 PRSS1 (0.50) PRSS1F2PRSS2PRSS3F10
SCHEMBL6986798 0.86 F2 (0.59) PRSS1F2PRSS2PRSS3F10
SCHEMBL7091109 0.85 FPR2 (0.47) F10FPR2FPR1
SCHEMBL6987059 0.85 F10 (0.60) PRSS1F2PRSS2PRSS3F10
SCHEMBL7062039 0.85 F10 (0.49) PRSS1F2PRSS2PRSS3F10
SCHEMBL6988775 0.80 FPR2 (0.48) FPR2FPR1
SCHEMBL7090507 0.80 F10 (0.49) PRSS1F2PRSS2PRSS3F10

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 claimed
WO-2002006269-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-24 — — WO claimed