SCHEMBL9710642

SCHEMBL9710642

NCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC[C@@H]2C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.69
F10 P00742 7/20 0.56
PLG P00747 3/20 0.54
PLAU P00749 3/20 0.54
ST14 Q9Y5Y6 2/20 0.54

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
SCHEMBL9710394 0.97 F2 (0.68) F2F10PLGPLAUST14
SCHEMBL8955035 0.95 F2 (0.62) F2F10PLGPLAUST14
SCHEMBL8654561 0.94 F2 (0.59) F2F10PLGPLAUST14
SCHEMBL8654566 0.94 F2 (0.59) F2F10PLGPLAUST14
SCHEMBL9710089 0.92 F2 (0.61) F2F10PLGPLAUST14
SCHEMBL8954841 0.90 F10 (0.59) F2F10PLGPLAUST14
SCHEMBL7743074 0.88 F10 (0.60) F2F10PLGPLAUST14
SCHEMBL8954768 0.87 F10 (0.75) F2F10PLGPLAUST14
SCHEMBL8954726 0.87 F10 (0.75) F2F10PLGPLAUST14
SCHEMBL8954681 0.87 F10 (0.75) F2F10PLGPLAUST14

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