SCHEMBL7439753

SCHEMBL7439753

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 5/20 0.48
NPY5R Q15761 5/20 0.48
NPY1R P25929 4/20 0.48
NPY2R P49146 2/20 0.48
EPHX2 P34913 2/20 0.47
NOD1 Q9Y239 4/20 0.46
GNPAT O15228 2/20 0.46
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
PGGT1B P53609 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
GLP1R P43220 1/20 0.42

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
SCHEMBL7443489 1.00 NPY4R (0.48) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7443504 0.94 EPHX2 (0.48) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7441257 0.94 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7445419 0.94 EPHX2 (0.53) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7444714 0.93 NMT1 (0.49) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7435837 0.93 NPY4R (0.59) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL17304354 0.93 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL17304347 0.93 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL17304348 0.93 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL17304349 0.93 NOD1 (0.52) NPY4RNPY5RNPY1RNPY2REPHX2

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 8 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 claimed
US-5332726-A Anticoagulant RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-07-26 US claimed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP claimed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO claimed
EP-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
US-5332726-A Anticoagulant RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-07-26 US 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