SCHEMBL9710463

SCHEMBL9710463

COC(=O)C1CCCN(C(=O)[C@@](N)(Cc2ccc(C(=N)N)cc2)S(=O)(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 11/20 0.59
▸ PLAU P00749 4/20 0.59
▸ F2 P00734 5/20 0.51
▸ PRSS1 P07477 4/20 0.51
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ PLG P00747 2/20 0.45
▸ HPN P05981 1/20 0.45

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 0.91 F10 (0.56) F10PLAUF2PRSS1PRSS2
SCHEMBL9710628 0.82 F10 (0.53) F10PLAUF2PRSS1PRSS2
SCHEMBL9710459 0.77 F2 (0.47) F10PLAUF2PRSS1PRSS2
Iodide SCHEMBL9710508 0.76 F10 (0.51) F10PLAUF2PRSS1PRSS2
Bicarbonate SCHEMBL9665131 0.76 F10 (0.57) F10PLAUF2PRSS1PLG
SCHEMBL8954706 0.71 F10 (0.52) F10PLAUF2PLGHPN
SCHEMBL8955009 0.71 HTT (0.52) F10PLAUF2PRSS1PLG
SCHEMBL8954856 0.69 F10 (0.50) F10PLAUF2PRSS1PLG
SCHEMBL9710610 0.69 F10 (0.57) F10PLAUF2PRSS1PLG
Hydrochloric Acid SCHEMBL8720171 0.69 POLB (0.55) F10PLAUF2PRSS1PRSS2

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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