SCHEMBL8112976

SCHEMBL8112976

N=C(N)NCCC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)NCc1cc(Cl)c(NC=O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.42
▸ NPY1R P25929 11/20 0.40
▸ NPY5R Q15761 3/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ C3AR1 Q16581 1/20 0.39
▸ NPY4R P50391 2/20 0.38
▸ NPFFR1 Q9GZQ6 2/20 0.38
▸ NPFFR2 Q9Y5X5 2/20 0.38
▸ PADI6 Q6TGC4 1/20 0.37

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
SCHEMBL1388294 0.88 TACR1 (0.46) TACR1NPY1RNPY5RNPY2RC3AR1
SCHEMBL8126656 0.85 NPY1R (0.37) NPY1RNPY5RNPY2RNPY4RPADI6
SCHEMBL4650700 0.78 NPY1R (0.55) NPY1RNPY5RNPY2RNPY4RNPFFR1
SCHEMBL9058196 0.77 NPY4R (0.51) NPY1RNPY5RNPY2RNPY4R
SCHEMBL6801489 0.77 C3AR1 (0.61) TACR1C3AR1
SCHEMBL5319184 0.77 C3AR1 (0.52) TACR1NPY1RNPY5RNPY2RC3AR1
SCHEMBL9272248 0.76 TACR1 (0.36) TACR1NPY1RNPY5RNPY2RC3AR1
SCHEMBL9058352 0.75 NPY4R (0.57) NPY1RNPY5RNPY2RNPY4R
SCHEMBL8126577 0.75 NPY1R (0.44) TACR1NPY1RNPY5RNPY2RC3AR1
SCHEMBL9280771 0.75 NPY1R (0.44) TACR1NPY1RNPY5RNPY2RC3AR1

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 1 patent. 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
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