SCHEMBL7307844

SCHEMBL7307844

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 9/20 0.37
NPY1R P25929 6/20 0.37
NPY2R P49146 5/20 0.37
NPY5R Q15761 5/20 0.37
ENPEP Q07075 5/20 0.33
ERAP2 Q6P179 1/20 0.33
KEAP1 Q14145 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TACR3 P29371 1/20 0.33

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
Hydrochloric Acid SCHEMBL7346009 0.99 NPY4R (0.37) NPY4RNPY1RNPY2RNPY5RENPEP
Trifluoroacetic Acid SCHEMBL9614816 0.95 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL7306013 0.85 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RENPEP
SCHEMBL30797917 0.85 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RENPEP
SCHEMBL7436345 0.85 SMN1; SMN2 (0.36) NPY4RNPY1RNPY2RNPY5RENPEP
SCHEMBL29598552 0.84 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL7439764 0.84 EPHX2 (0.36) NPY4RNPY1RNPY2RNPY5RITGB3
SCHEMBL29407224 0.81 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RENPEP
Trifluoroacetic Acid SCHEMBL7437664 0.80 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RENPEP
SCHEMBL7441948 0.80 EPHX2 (0.44) NPY4RNPY1RNPY2RNPY5RITGB3

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