SCHEMBL9710459

SCHEMBL9710459

N=C(N)c1ccc(C[C@](N)(C(=O)N2CCCC(OC(=O)O)C2=O)S(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 8/20 0.47
▸ PRSS1 P07477 5/20 0.47
▸ PRSS2 P07478 2/20 0.47
▸ PRSS3 P35030 2/20 0.47
▸ F10 P00742 13/20 0.43
▸ PLG P00747 1/20 0.41
▸ PROC P04070 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PLAU P00749 1/20 0.38

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
SCHEMBL9710665 0.79 F10 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL9710628 0.79 F10 (0.53) F2PRSS1PRSS2PRSS3F10
Iodide SCHEMBL9710508 0.78 F10 (0.51) F2PRSS1PRSS2PRSS3F10
SCHEMBL9710463 0.77 F10 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL9664145 0.73 F10 (0.50) F2F10PLGPROCPLAU
SCHEMBL8954706 0.73 F10 (0.52) F2F10PLGPROCPLAU
Iodide SCHEMBL9666229 0.73 F10 (0.49) F2F10PLGPROCPLAU
SCHEMBL9665283 0.72 F10 (0.48) F2F10PLGPROCPLAU
Hydrochloric Acid SCHEMBL9664047 0.71 F10 (0.48) F2F10PLGPROCPLAU
Bicarbonate SCHEMBL9665131 0.71 F10 (0.57) F2PRSS1F10PLGPLAU

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992016549-A1 PARASUBSTITUTED PHENYLALANINE DERIVATES PENTAPHARM AG (CH) 1992-10-01 — — WO disclosed
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