SCHEMBL7874301

SCHEMBL7874301

Cc1[nH]c(=O)c(NCC(C)(c2ccccc2)c2ccccc2)nc1CC(=O)NCCONC(=N)N

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.37
PRSS1 P07477 6/20 0.37
PRSS2 P07478 5/20 0.37
PRSS3 P35030 5/20 0.37
F10 P00742 2/20 0.37
PLAT P00750 1/20 0.37
SLC6A3 Q01959 1/20 0.31
KCNA5 P22460 1/20 0.30

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
SCHEMBL7874352 0.91 F2 (0.46) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7876019 0.89 F2 (0.45) F2PRSS1PRSS2PRSS3F10
SCHEMBL7878630 0.85 KDM4E (0.40) F2PRSS1PRSS2PRSS3
SCHEMBL7867229 0.84 F2 (0.44) F2PRSS1PRSS2PRSS3F10
SCHEMBL7878615 0.84 F2 (0.39) F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7874359 0.83 TPSAB1 (0.38) F2PRSS1PRSS2PRSS3
SCHEMBL7876299 0.82 F2 (0.40) F2PRSS1PRSS2PRSS3
SCHEMBL7875607 0.82 F2 (0.37) F2PRSS1PRSS2PRSS3F10
SCHEMBL7872476 0.82 F2 (0.37) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7867361 0.81 F2 (0.37) F2PRSS1PRSS2PRSS3F10

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-1086122-A1 PYRAZINONE PROTEASE INHIBITORS Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) 2001-03-28 EP disclosed
WO-1999064446-A1 PYRAZINONE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-12-16 WO disclosed