SCHEMBL7435837

SCHEMBL7435837

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.59
NPY5R Q15761 10/20 0.59
NPY1R P25929 9/20 0.59
NPY2R P49146 7/20 0.59
EPHX2 P34913 2/20 0.44
NOD1 Q9Y239 1/20 0.43
GNPAT O15228 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
SCHEMBL7440625 0.94 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7443489 0.93 NPY4R (0.48) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7439753 0.93 NPY4R (0.48) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7434794 0.92 NPY4R (0.51) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7441257 0.91 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7443504 0.90 EPHX2 (0.48) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL30496961 0.90 NPY4R (0.61) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL29738690 0.90 NPY4R (0.61) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL29640340 0.90 NPY4R (0.61) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL30496979 0.90 NPY4R (0.61) NPY4RNPY5RNPY1RNPY2RNOD1

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