SCHEMBL7199074

SCHEMBL7199074

CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@@]1(C(=O)O)c1ccc(NC(N)=O)c(O)c1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.36
BACE1 P56817 2/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
CCR1 P32246 1/20 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
SCHEMBL7203259 0.94 ITGB1 (0.36) BACE1FNTAFNTBPGGT1BCCR1
SCHEMBL7198903 0.91 CTSL (0.39) BACE1CCR1
SCHEMBL7201997 0.85 BACE1 (0.35) CCKBRBACE1CCR1
SCHEMBL7197725 0.84 ITGB1 (0.41) BACE1CCR1
SCHEMBL7199086 0.84 ITGB1 (0.40) BACE1CCR1
SCHEMBL7200493 0.82 ITGB1 (0.43) BACE1CCR1
SCHEMBL7197381 0.80 ITGB1 (0.41) BACE1CCR1
SCHEMBL7198890 0.79 CTSL (0.38) BACE1
SCHEMBL7196140 0.77 ITGB1 (0.38) BACE1
SCHEMBL7201999 0.75 CTSL (0.38) BACE1CCR1

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