SCHEMBL7306013

SCHEMBL7306013

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 11/20 0.46
NPY1R P25929 6/20 0.46
NPY2R P49146 4/20 0.46
NPY5R Q15761 4/20 0.46
BACE1 P56817 2/20 0.41
CTSD P07339 1/20 0.41
ENPEP Q07075 5/20 0.40
GNPAT O15228 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.38

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
SCHEMBL30797917 1.00 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL29407224 0.96 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RBACE1
Trifluoroacetic Acid SCHEMBL7437664 0.94 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL30905096 0.94 BACE1 (0.45) NPY4RNPY1RNPY2RNPY5RBACE1
Thymocartin SCHEMBL443972 0.93 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL30779710 0.92 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL29560353 0.91 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL320943 0.91 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29598552 0.91 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29532212 0.91 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5R

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-4133083-A1 APTAMERS FOR USE IN THE TREATMENT OF CORONAVIRIDAE INFECTIONS Berlin Cures GmbH (DE) 2023-02-15 EP claimed
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
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