SCHEMBL8529501

SCHEMBL8529501

CN[C@@H](CCCNC(=N)N)C(=O)N(CC(=O)O)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 4/20 0.38
▸ C3AR1 Q16581 1/20 0.38
▸ CNR1 P21554 4/20 0.36
▸ CNR2 P34972 3/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ CACNA1B Q00975 2/20 0.34
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ NPY4R P50391 1/20 0.33

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
SCHEMBL8120771 0.82 NPY1R (0.44) NPY1RCNR1CNR2NPY5RNPY4R
SCHEMBL8112524 0.82 KMT2A (0.47) —
SCHEMBL8122078 0.82 CASR (0.44) NPY1RCNR1CNR2
SCHEMBL8120019 0.81 ITGB3 (0.41) CNR1CNR2
SCHEMBL8119334 0.81 NPY1R (0.47) NPY1RNPY5RNPY4R
SCHEMBL8122083 0.81 NPY1R (0.40) NPY1RC3AR1CNR1NPY5RNPY4R
SCHEMBL8120923 0.81 NPY1R (0.39) NPY1RC3AR1NPY5RNPY4R
SCHEMBL8120228 0.80 NPY1R (0.38) NPY1RNPY5RNPY4R
SCHEMBL8129753 0.80 BCHE (0.40) MTNR1AMTNR1B
SCHEMBL8126974 0.80 ASAH1 (0.41) CNR1CNR2

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 — — EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 — — WO disclosed
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