SCHEMBL7920067

SCHEMBL7920067

CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 8/20 0.52
▸ NPY1R P25929 2/20 0.51
▸ F2 P00734 5/20 0.47
▸ MASP2 O00187 2/20 0.47
▸ ITGB3 P05106 3/20 0.47
▸ ITGA2B P08514 3/20 0.47
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ NPY5R Q15761 1/20 0.44
▸ F7 P08709 1/20 0.44
▸ AKT1 P31749 1/20 0.43

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
SCHEMBL16181609 1.00 FURIN (0.52) FURINNPY1RF2MASP2ITGB3
SCHEMBL16181237 1.00 FURIN (0.52) FURINNPY1RF2MASP2ITGB3
SCHEMBL16181249 0.96 FURIN (0.49) FURINNPY1RF2MASP2ITGB3
SCHEMBL16181263 0.96 FURIN (0.49) FURINNPY1RF2MASP2ITGB3
SCHEMBL16181278 0.96 FURIN (0.54) FURINNPY1RITGB3ITGA2BNPY2R
SCHEMBL16181274 0.94 NPY1R (0.51) FURINNPY1RNPY2RNPY4RNPY5R
SCHEMBL16181255 0.94 NPY1R (0.51) FURINNPY1RF2MASP2ITGB3
SCHEMBL16181267 0.93 FURIN (0.52) FURINNPY1RITGB3ITGA2BNPY2R
SCHEMBL16181256 0.93 NPY1R (0.58) FURINNPY1RF2MASP2ITGB3
SCHEMBL16181266 0.93 NPY1R (0.49) FURINNPY1RF2MASP2ITGB3

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
WO-2010048941-A2 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC PHILIPPS-UNIVERSITÄT MARBURG (DE) 2010-05-06 — — WO disclosed
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