SCHEMBL7440952

SCHEMBL7440952

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.54
NPY4R P50391 12/20 0.52
NPY5R Q15761 8/20 0.52
NPY1R P25929 7/20 0.52
NPY2R P49146 5/20 0.52
EPHX2 P34913 2/20 0.42
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 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
SCHEMBL7435865 0.96 PLA2G10 (0.55) PLA2G10NPY4RNPY5RNPY1RNPY2R
SCHEMBL7434794 0.93 NPY4R (0.51) PLA2G10NPY4RNPY5RNPY1RNPY2R
SCHEMBL7435837 0.89 NPY4R (0.59) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7440625 0.88 NPY4R (0.53) PLA2G10NPY4RNPY5RNPY1RNPY2R
SCHEMBL7439753 0.84 NPY4R (0.48) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7443489 0.84 NPY4R (0.48) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7438377 0.83 NPY4R (0.49) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7441257 0.83 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL16509065 0.82 NPY4R (0.57) PLA2G10NPY4RNPY5RNPY1RNPY2R
SCHEMBL7442799 0.82 EPHX2 (0.46) 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 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