SCHEMBL8120923

SCHEMBL8120923

Cc1cc(CN[C@@H](CCCNC(=N)N)C(=O)N(CC(=O)O)C(=O)C(c2ccccc2)c2ccccc2)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 11/20 0.39
▸ MC4R P32245 1/20 0.36
▸ MC3R P41968 1/20 0.36
▸ MC1R Q01726 1/20 0.36
▸ ERCC1 P07992 1/20 0.34
▸ ERCC4 Q92889 1/20 0.34
▸ TLR2 O60603 1/20 0.34
▸ NPY5R Q15761 4/20 0.34
▸ NPFFR1 Q9GZQ6 2/20 0.34
▸ NPFFR2 Q9Y5X5 2/20 0.34
▸ NPY4R P50391 5/20 0.34
▸ NPY2R P49146 3/20 0.34
▸ C3AR1 Q16581 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 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
SCHEMBL8119335 0.89 TRPV1 (0.41) NPY1R
SCHEMBL8127804 0.88 GAA (0.41) NPY1RMC4RMC3RMC1R
SCHEMBL8122083 0.87 NPY1R (0.40) NPY1RMC4RMC3RMC1RTLR2
SCHEMBL8119334 0.85 NPY1R (0.47) NPY1RNPY5RNPFFR1NPFFR2NPY4R
SCHEMBL8122078 0.84 CASR (0.44) NPY1RTLR2
SCHEMBL4651114 0.84 NPY1R (0.45) NPY1RMC4RMC3RMC1RERCC1
SCHEMBL8129753 0.84 BCHE (0.40) —
SCHEMBL8128352 0.83 PADI4 (0.39) NPY1RMC4RMC3RMC1R
SCHEMBL8120228 0.82 NPY1R (0.38) NPY1RTLR2NPY5RNPY4R
SCHEMBL8120771 0.81 NPY1R (0.44) NPY1RNPY5RNPFFR1NPFFR2NPY4R

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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