SCHEMBL7306618

SCHEMBL7306618

N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
GSTK1 Q9Y2Q3 1/20 0.43
NPY4R P50391 5/20 0.39
NPY1R P25929 4/20 0.39
NPY2R P49146 4/20 0.39
NPY5R Q15761 4/20 0.39
GLO1 Q04760 1/20 0.38
NOD1 Q9Y239 1/20 0.38
KEAP1 Q14145 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL31349358 0.94 NPY4R (0.40) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL29655791 0.93 PTGS1 (0.44) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL29655812 0.93 PTGS1 (0.44) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL29655840 0.93 PTGS1 (0.44) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL29655852 0.93 PTGS1 (0.44) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL29533359 0.93 PTGS1 (0.44) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL19138 0.92 NOD1 (0.43) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL19629051 0.92 NPY4R (0.44) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL18132953 0.92 NPY4R (0.44) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL13123122 0.92 NOD1 (0.43) PTGS1GSTK1NPY4RNPY1RNPY2R

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494248-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES 1992-08-26 EP claimed
EP-0494248-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-15 EP claimed
WO-1991004746-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-04-18 WO claimed
US-4952562-A TREATMENT OF CARDIOVASCULAR DISORDERS RORER PHARMACEUTICAL CORPORATION (US) 1990-08-28 US 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
EP-0494248-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES 1992-08-26 EP disclosed
EP-0494248-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-15 EP disclosed
WO-1991004746-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-04-18 WO disclosed
US-4952562-A TREATMENT OF CARDIOVASCULAR DISORDERS RORER PHARMACEUTICAL CORPORATION (US) 1990-08-28 US disclosed