SCHEMBL7440667

SCHEMBL7440667

N=C(N)NCCCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 8/20 0.58
NPY5R Q15761 6/20 0.58
NPY1R P25929 5/20 0.58
NPY2R P49146 3/20 0.58
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
PTPN1 P18031 2/20 0.51
FOLH1 Q04609 2/20 0.49
EPHX2 P34913 1/20 0.48

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
SCHEMBL7321414 0.94 EPHX2 (0.54) NPY4RNPY5RNPY1RNPY2RITGB3
SCHEMBL7439753 0.89 NPY4R (0.48) NPY4RNPY5RNPY1RNPY2RITGB3
SCHEMBL7443489 0.89 NPY4R (0.48) NPY4RNPY5RNPY1RNPY2RITGB3
SCHEMBL29590999 0.88 GNPAT (0.47) NPY4RNPY5RNPY1RNPY2RFOLH1
SCHEMBL29628380 0.87 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2RFOLH1
SCHEMBL5488598 0.86 CHRNB2 (0.57) NPY4RNPY5RNPY1RNPY2RITGB3
SCHEMBL5489872 0.86 CHRNB2 (0.57) NPY4RNPY5RNPY1RNPY2RITGB3
SCHEMBL29907909 0.86 NPY4R (0.51) NPY4RNPY5RNPY1RNPY2RFOLH1
SCHEMBL6552216 0.85 NPY4R (0.61) NPY4RNPY5RNPY1RNPY2R
SCHEMBL6046826 0.85 NPY4R (0.61) NPY4RNPY5RNPY1RNPY2R

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