SCHEMBL7086913

SCHEMBL7086913

CCC(C)N(Cc1cccc(C(=N)NC(=O)OCc2ccccc2)c1)C(=O)Oc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.43
PRSS1 P07477 9/20 0.43
F2 P00734 6/20 0.39
PRSS2 P07478 6/20 0.39
PRSS3 P35030 6/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
F7 P08709 1/20 0.39

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
SCHEMBL7087191 0.94 F10 (0.44) F10PRSS1F2PRSS2PRSS3
SCHEMBL7132692 0.93 F10 (0.45) F10PRSS1F2PRSS2PRSS3
SCHEMBL7088476 0.93 F10 (0.44) F10PRSS1F2PRSS2PRSS3
SCHEMBL7089325 0.91 F10 (0.41) F10PRSS1F2PRSS2PRSS3
SCHEMBL7087677 0.91 F10 (0.40) F10PRSS1F2PRSS2PRSS3
SCHEMBL7084486 0.90 F10 (0.41) F10PRSS1F2PRSS2PRSS3
SCHEMBL7083383 0.89 F10 (0.42) F10PRSS1F2PRSS2PRSS3
SCHEMBL7090126 0.89 F10 (0.47) F10PRSS1F2PRSS2PRSS3
SCHEMBL7083866 0.89 F10 (0.45) F10PRSS1F2PRSS2PRSS3
SCHEMBL7089277 0.88 F10 (0.40) F10PRSS1F2PRSS2PRSS3

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-1294720-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-03-26 EP disclosed
WO-2001096338-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-12-20 WO disclosed