SCHEMBL7198167

SCHEMBL7198167

CON(C(N)=O)c1ccc([C@]2(C(N)=O)CCCN2C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
CTSD P07339 10/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
TMPRSS11D O60235 1/20 0.36
CTRL P40313 1/20 0.36
CCR1 P32246 1/20 0.35
REN P00797 2/20 0.35
PSMB8 P28062 1/20 0.35
PSMB9 P28065 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB10 P40306 1/20 0.35
PSMB2 P49721 1/20 0.35
CTSE P14091 5/20 0.35

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
SCHEMBL7201999 0.96 CTSL (0.38) CTSLPSEN1PSEN2APH1BNCSTN
SCHEMBL7197696 0.91 ITGB1 (0.37) CTSLPSEN1PSEN2APH1BNCSTN
SCHEMBL7201997 0.87 BACE1 (0.35) CCR1BACE1
SCHEMBL7197381 0.84 ITGB1 (0.41) CTSLPSEN1PSEN2APH1BNCSTN
SCHEMBL7200493 0.83 ITGB1 (0.43) CTSLPSEN1PSEN2APH1BNCSTN
SCHEMBL7202292 0.82 CTSL (0.38) CTSLPSEN1PSEN2APH1BNCSTN
SCHEMBL7198903 0.80 CTSL (0.39) CTSLPSEN1PSEN2APH1BNCSTN
SCHEMBL7197725 0.80 ITGB1 (0.41) CTSLPSEN1PSEN2APH1BNCSTN
SCHEMBL7199086 0.80 ITGB1 (0.40) CTSLPSEN1PSEN2APH1BNCSTN
SCHEMBL7198890 0.78 CTSL (0.38) CTSLPSEN1PSEN2APH1BNCSTN

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
US-6596687-B1 For treatment of many inflammatory and autoimmune diseases BIOGEN, INC. 2003-07-22 US claimed