SCHEMBL9710628

SCHEMBL9710628

N=C(N)c1ccc(C[C@](N)(C(=O)N2CCC(C(=O)O)CC2)S(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.53
▸ PRSS1 P07477 7/20 0.46
▸ F2 P00734 5/20 0.46
▸ PRSS2 P07478 2/20 0.46
▸ PRSS3 P35030 2/20 0.46
▸ PLAU P00749 2/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ ITGB3 P05106 2/20 0.43
▸ ITGA2B P08514 2/20 0.43
▸ ST14 Q9Y5Y6 2/20 0.43
▸ HPN P05981 1/20 0.43
▸ HGFAC Q04756 1/20 0.43
▸ TMPRSS15 P98073 2/20 0.43
▸ PLG P00747 1/20 0.43

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 0.90 F10 (0.56) F10PRSS1F2PRSS2PRSS3
SCHEMBL8954856 0.84 F10 (0.50) F10PRSS1F2PLAUAKR1C3
Iodide SCHEMBL9710508 0.83 F10 (0.51) F10PRSS1F2PRSS2PRSS3
SCHEMBL9710463 0.82 F10 (0.59) F10PRSS1F2PRSS2PRSS3
Bicarbonate SCHEMBL9665131 0.79 F10 (0.57) F10PRSS1F2PLAUPLG
SCHEMBL9710459 0.79 F2 (0.47) F10PRSS1F2PRSS2PRSS3
SCHEMBL8954706 0.76 F10 (0.52) F10F2PLAUST14HPN
SCHEMBL8954806 0.76 F10 (0.52) F10PRSS1F2PLAUST14
Hydrochloric Acid SCHEMBL8954922 0.75 F10 (0.51) F10PRSS1F2PLAUST14
SCHEMBL8954880 0.73 F10 (0.52) F10F2PLAUST14HPN

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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