SCHEMBL5774527

SCHEMBL5774527

CC1=CCC(=O)C(C(F)(F)CNc2ccc(C#N)c(CC(=O)NCCONC(=N)N)c2F)=N1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.53

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
SCHEMBL5770511 0.87 F2 (0.53) F2
Hydrochloric Acid SCHEMBL5772239 0.86 F2 (0.52) F2
SCHEMBL5771914 0.82 F2 (0.43) F2
SCHEMBL3887943 0.81 F2 (0.78) F2
SCHEMBL3890615 0.81 F2 (0.78) F2
SCHEMBL3889797 0.81 F2 (0.76) F2
SCHEMBL3888677 0.80 F2 (0.79) F2
SCHEMBL3894408 0.80 F2 (0.79) F2
Hydrochloric Acid SCHEMBL3890632 0.80 F2 (0.77) F2
SCHEMBL4044819 0.80 F2 (0.58) F2

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-1613319-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
WO-2004091613-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed