SCHEMBL7434794

SCHEMBL7434794

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 10/20 0.51
NPY5R Q15761 6/20 0.51
NPY1R P25929 5/20 0.51
NPY2R P49146 3/20 0.51
PLA2G10 O15496 2/20 0.47
NOD1 Q9Y239 3/20 0.43
EPHX2 P34913 2/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
GLP1R P43220 1/20 0.41

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
SCHEMBL7440952 0.93 PLA2G10 (0.54) NPY4RNPY5RNPY1RNPY2RPLA2G10
SCHEMBL7435865 0.93 PLA2G10 (0.55) NPY4RNPY5RNPY1RNPY2RPLA2G10
SCHEMBL7435837 0.92 NPY4R (0.59) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL7439753 0.89 NPY4R (0.48) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL7443489 0.89 NPY4R (0.48) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL7440625 0.88 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2RPLA2G10
SCHEMBL7441257 0.87 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL7443504 0.86 EPHX2 (0.48) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL7444779 0.85 NPY4R (0.47) NPY4RNPY5RNPY1RNPY2RNOD1
SCHEMBL7445419 0.85 EPHX2 (0.53) 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 4 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
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