SCHEMBL8120108

SCHEMBL8120108

N=C(N)NCCC[C@@H](C(N)=O)N(Cc1ccc(O)cc1)C(=O)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.38
▸ NPY1R P25929 10/20 0.38
▸ NPY5R Q15761 8/20 0.38
▸ NPY2R P49146 5/20 0.38
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ EPOR P19235 2/20 0.34

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
SCHEMBL7750681 1.00 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RCNR1
SCHEMBL8118604 0.91 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2REPOR
SCHEMBL8123562 0.91 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2REPOR
SCHEMBL8126150 0.85 F2 (0.35) NPY1RCNR1CNR2EPOR
SCHEMBL4650760 0.83 TRPV1 (0.41) NPY4RNPY1RNPY5RNPY2REPOR
SCHEMBL1593414 0.82 NPY1R (0.42) NPY4RNPY1RNPY5RNPY2RCNR1
SCHEMBL9201067 0.82 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RCNR1
SCHEMBL9199961 0.81 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2R
SCHEMBL8112500 0.80 PLAAT3 (0.44) NPY4RNPY1RNPY5RNPY2R
SCHEMBL4650863 0.80 NPY1R (0.40) NPY4RNPY1RNPY5RNPY2RCNR1

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 2 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 claimed
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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