SCHEMBL8120771

SCHEMBL8120771

N=C(N)NCCC[C@H](NCCc1ccc(O)cc1)C(=O)N(CC(=O)O)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 11/20 0.44
▸ NPY5R Q15761 4/20 0.40
▸ NPFFR1 Q9GZQ6 2/20 0.40
▸ NPFFR2 Q9Y5X5 2/20 0.40
▸ NPY4R P50391 7/20 0.38
▸ NPY2R P49146 3/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ OPRK1 P41145 1/20 0.37
▸ CNR2 P34972 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
SCHEMBL8120019 0.89 ITGB3 (0.41) CNR1CNR2
SCHEMBL8119334 0.89 NPY1R (0.47) NPY1RNPY5RNPFFR1NPFFR2NPY4R
SCHEMBL8126974 0.84 ASAH1 (0.41) CNR1CNR2
SCHEMBL8122083 0.84 NPY1R (0.40) NPY1RNPY5RNPFFR1NPFFR2NPY4R
SCHEMBL8127573 0.84 MTNR1A (0.42) —
SCHEMBL4652031 0.83 NPY1R (0.48) NPY1RNPY5RNPFFR1NPFFR2NPY4R
SCHEMBL8529501 0.82 NPY1R (0.38) NPY1RNPY5RNPY4RCNR1CNR2
SCHEMBL8120923 0.81 NPY1R (0.39) NPY1RNPY5RNPFFR1NPFFR2NPY4R
SCHEMBL8122078 0.81 CASR (0.44) NPY1RCNR1CNR2
SCHEMBL8112874 0.81 KMT2A (0.43) —

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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