SCHEMBL6559665

SCHEMBL6559665

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSENEN Q9NZ42 1/20 0.43
ELANE P08246 7/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.31
CASP1 P29466 1/20 0.31
CTSD P07339 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL6560709 0.97 PSENEN (0.41) PSENENELANEMEN1KMT2ACA1
SCHEMBL6558465 0.97 PSENEN (0.41) PSENENELANEMEN1KMT2ACA1
SCHEMBL6558448 0.89 PSENEN (0.39) PSENENELANECASP1CTSD
SCHEMBL6559645 0.87 ALDH1A1 (0.40) PSENENCTSD
SCHEMBL6558875 0.86 CASP1 (0.42) PSENENCASP1CTSD
SCHEMBL6558747 0.85 BACE1 (0.42) PSENENCASP1CTSD
SCHEMBL6558839 0.83 PSENEN (0.36) PSENENELANECASP1CTSD
SCHEMBL6558450 0.83 MAGI3 (0.37) PSENENCASP1CTSD
SCHEMBL6558811 0.82 FURIN (0.46)
SCHEMBL7292999 0.81 ELANE (0.44) ELANEDPP4DPP8DPP9

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