SCHEMBL8975655

SCHEMBL8975655

N=C(N)NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 16/20 0.67
NPY1R P25929 10/20 0.67
NPY5R Q15761 9/20 0.67
NPY2R P49146 6/20 0.67
KISS1R Q969F8 2/20 0.53

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
SCHEMBL8975803 0.97 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29641056 0.97 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29641098 0.97 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29981508 0.94 NPY4R (0.75) NPY4RNPY1RNPY5RNPY2R
SCHEMBL2196176 0.94 NPY4R (0.74) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL8975469 0.94 NPY4R (0.73) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29483774 0.94 NPY4R (0.73) NPY4RNPY1RNPY5RNPY2R
SCHEMBL13563451 0.93 NPY4R (0.72) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29461992 0.93 NPY4R (0.63) NPY4RNPY1RNPY5RNPY2R
SCHEMBL22133073 0.93 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350221-B1 Dermorphin analogs, their methods of preparation, pharmaceutical compositions, and methods of therapeutic treatment using the same ASTRA AB (SE) 1996-04-17 EP disclosed
US-5312899-A Dermorphin analogs BIOCHEM PHARMA, INC. (CA) 1994-05-17 US disclosed
EP-0350221-A2 Dermorphin analogs, their methods of preparation, pharmaceutical compositions, and methods of therapeutic treatment using the same Astra Aktiebolag (SE) 1990-01-10 EP disclosed