SCHEMBL8119701

SCHEMBL8119701

CCCC(CCC)C(=O)N(Cc1ccc(O)cc1)[C@H](CCCNC(=N)N)C(=O)NCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 14/20 0.39
▸ NPY1R P25929 10/20 0.39
▸ NPY5R Q15761 8/20 0.39
▸ NPY2R P49146 5/20 0.39
▸ 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
SCHEMBL8125787 0.87 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RITGB3
SCHEMBL8127029 0.85 NPY1R (0.41) NPY4RNPY1RNPY5RNPY2R
SCHEMBL8122077 0.82 EPOR (0.39) NPY4RNPY1RNPY5RNPY2RITGB3
SCHEMBL8123562 0.80 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2R
SCHEMBL8127572 0.80 HDAC3 (0.40) NPY4RNPY1RNPY5RNPY2R
SCHEMBL9195765 0.79 TP53 (0.40) NPY4RNPY1RNPY5RNPY2R
SCHEMBL8112714 0.79 MEN1 (0.42) ITGB3ITGA2B
SCHEMBL8112784 0.79 CNR1 (0.41) —
SCHEMBL8120666 0.78 NPY4R (0.35) NPY4RNPY1RNPY5RNPY2R
SCHEMBL8119244 0.78 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2R

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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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