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SCHEMBL6989110

SCHEMBL6989110

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)OC2CCC(=O)N2c2cccc(C(=N)N)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 16/20 0.55
▸ F2 P00734 15/20 0.55
▸ PRSS2 P07478 13/20 0.55
▸ PRSS3 P35030 13/20 0.55
▸ F10 P00742 17/20 0.48
▸ F9 P00740 2/20 0.48
▸ KCNH2 Q12809 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
SCHEMBL7091410 0.93 F10 (0.55) PRSS1F2PRSS2PRSS3F10
SCHEMBL6986677 0.87 F2 (0.55) PRSS1F2PRSS2PRSS3F10
SCHEMBL6985454 0.87 F2 (0.54) PRSS1F2PRSS2PRSS3F10
SCHEMBL6986798 0.86 F2 (0.59) PRSS1F2PRSS2PRSS3F10
SCHEMBL7064804 0.86 PRSS1 (0.57) PRSS1F2PRSS2PRSS3F10
SCHEMBL7064289 0.86 PRSS1 (0.57) PRSS1F2PRSS2PRSS3F10
SCHEMBL6988335 0.84 F2 (0.57) PRSS1F2PRSS2PRSS3F10
SCHEMBL6982174 0.83 PRSS1 (0.56) PRSS1F2PRSS2PRSS3F10
SCHEMBL6988286 0.82 F2 (0.55) PRSS1F2PRSS2PRSS3F10
SCHEMBL6990777 0.82 F2 (0.54) 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 disclosed
WO-2002006269-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-24 — — WO disclosed