SCHEMBL7449063

SCHEMBL7449063

N=C(N)NCCCCCC=CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.42
EPHX2 P34913 10/20 0.41
FOLH1 Q04609 1/20 0.36
NPY4R P50391 3/20 0.35
NPY1R P25929 2/20 0.35
SLC6A5 Q9Y345 2/20 0.34
SIRT5 Q9NXA8 1/20 0.34
NPY2R P49146 1/20 0.34
NPY5R Q15761 1/20 0.34

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
SCHEMBL7445645 0.85 EPHX2 (0.40) EPHX2
SCHEMBL7434185 0.85 EPHX2 (0.40) EPHX2
SCHEMBL7448695 0.85 EPHX2 (0.40) EPHX2
SCHEMBL7439753 0.81 NPY4R (0.48) GNPATEPHX2NPY4RNPY1RNPY2R
SCHEMBL7443489 0.81 NPY4R (0.48) GNPATEPHX2NPY4RNPY1RNPY2R
Trifluoroacetic Acid SCHEMBL9614812 0.81 ITGB1 (0.37) EPHX2NPY4R
SCHEMBL30798042 0.79 GNPAT (0.49) GNPATFOLH1NPY4RNPY1RNPY2R
SCHEMBL29628247 0.79 GNPAT (0.49) GNPATFOLH1NPY4RNPY1RNPY2R
SCHEMBL31232977 0.78 GNPAT (0.51) GNPATFOLH1NPY4RNPY1RSIRT5
SCHEMBL30099629 0.78 NPY4R (0.48) GNPATFOLH1NPY4RNPY1RSIRT5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO disclosed