SCHEMBL6559645

SCHEMBL6559645

CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(=O)C(F)(F)F)C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
PSENEN Q9NZ42 1/20 0.39
FURIN P09958 1/20 0.39
PCSK6 P29122 1/20 0.39
CTSD P07339 2/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36

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
SCHEMBL6558448 0.88 PSENEN (0.39) PSENENCTSDFNTAFNTB
SCHEMBL6559665 0.87 PSENEN (0.43) PSENENCTSD
SCHEMBL6558875 0.86 CASP1 (0.42) PSENENCTSD
SCHEMBL6558747 0.85 BACE1 (0.42) PSENENCTSD
SCHEMBL6558465 0.84 PSENEN (0.41) PSENENCTSD
SCHEMBL6560709 0.84 PSENEN (0.41) PSENENCTSD
SCHEMBL6558790 0.84 CTSD (0.35) CTSD
SCHEMBL6558839 0.83 PSENEN (0.36) PSENENCTSD
SCHEMBL6558450 0.83 MAGI3 (0.37) PSENENFURINPCSK6CTSD
SCHEMBL6558811 0.82 FURIN (0.46) FURINPCSK6

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-0948523-B1 PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM CA LTD (CA) 2004-03-17 EP disclosed
US-6291640-B1 OLIGOPEPTIDES; SOLID PHASE SYNTHESIS BOEHRINGER INGELHEIM LTD. (CA) 2001-09-18 US disclosed