SCHEMBL8112002

SCHEMBL8112002

N=C(N)NCCC[C@@H](NC(=O)c1cccc2ccccc12)C(=O)NCc1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.60
▸ NPY1R P25929 10/20 0.49
▸ NPY5R Q15761 4/20 0.48
▸ NPFFR1 Q9GZQ6 2/20 0.48
▸ NPFFR2 Q9Y5X5 2/20 0.48
▸ PADI4 Q9UM07 2/20 0.46
▸ NPY4R P50391 6/20 0.45
▸ NPY2R P49146 3/20 0.45
▸ PADI2 Q9Y2J8 1/20 0.45
▸ TGM2 P21980 1/20 0.44

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
SCHEMBL8126399 0.86 MCHR1 (0.55) MCHR1NPY1RNPY5RNPFFR1NPFFR2
SCHEMBL7750688 0.85 MCHR1 (0.59) MCHR1NPY1RNPY5RNPFFR1NPFFR2
SCHEMBL650331 0.81 NPY1R (0.72) NPY1RNPY5RNPFFR1NPFFR2NPY4R
SCHEMBL4650743 0.81 NPY1R (0.61) NPY1RNPY5RNPFFR1NPFFR2NPY4R
SCHEMBL1766005 0.80 TGM2 (0.50) MCHR1PADI4PADI2TGM2
SCHEMBL8118603 0.79 NPY1R (0.52) NPY1RNPY5RNPFFR1NPFFR2NPY4R
SCHEMBL1388701 0.78 NPY1R (0.51) NPY1RNPY5RNPFFR1NPFFR2NPY4R
SCHEMBL7750672 0.78 NPY1R (0.51) NPY1RNPY5RNPFFR1NPFFR2NPY4R
SCHEMBL8112493 0.78 TRPV1 (0.57) NPY1RNPY5RNPFFR1NPFFR2NPY4R
SCHEMBL8639063 0.78 PADI4 (0.65) MCHR1NPY1RNPY5RPADI4NPY4R

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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