SCHEMBL6985947

SCHEMBL6985947

N=C(N)c1cccc(N2CSCC2OC(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.55
PRSS1 P07477 15/20 0.55
PRSS2 P07478 10/20 0.55
PRSS3 P35030 10/20 0.55
F2 P00734 10/20 0.55
F9 P00740 1/20 0.54
KCNH2 Q12809 1/20 0.51
PLG P00747 1/20 0.51
PROC P04070 1/20 0.51

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
SCHEMBL6988286 0.93 F2 (0.55) F10PRSS1PRSS2PRSS3F2
SCHEMBL6987059 0.88 F10 (0.60) F10PRSS1PRSS2PRSS3F2
SCHEMBL6988504 0.86 F10 (0.56) F10PRSS1PRSS2PRSS3F2
SCHEMBL6986473 0.86 F10 (0.58) F10PRSS1PRSS2PRSS3F2
SCHEMBL7064769 0.86 F10 (0.61) F10PRSS1PRSS2PRSS3F2
SCHEMBL6991612 0.84 F10 (0.57) F10PRSS1PRSS2PRSS3F2
SCHEMBL6990509 0.83 F10 (0.54) F10PRSS1PRSS2PRSS3F2
SCHEMBL6987452 0.83 F10 (0.53) F10PRSS1PRSS2PRSS3F2
SCHEMBL6989752 0.82 F10 (0.57) F10PRSS1PRSS2PRSS3F2
SCHEMBL7091410 0.82 F10 (0.55) F10PRSS1PRSS2PRSS3F2

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