SCHEMBL9280771

SCHEMBL9280771

NC(=N[N+](=O)[O-])NCCC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)NCc1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 14/20 0.44
▸ TACR1 P25103 1/20 0.43
▸ NPY5R Q15761 3/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ NPY4R P50391 3/20 0.39
▸ NPFFR1 Q9GZQ6 2/20 0.39
▸ NPFFR2 Q9Y5X5 2/20 0.39
▸ C3AR1 Q16581 1/20 0.38
▸ PADI6 Q6TGC4 1/20 0.38

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
SCHEMBL8126577 1.00 NPY1R (0.44) NPY1RTACR1NPY5RNPY2RNPY4R
SCHEMBL9285714 0.91 NPY1R (0.54) NPY1RNPY5RNPY2RNPY4RNPFFR1
SCHEMBL8112793 0.91 NPY1R (0.54) NPY1RNPY5RNPY2RNPY4RNPFFR1
SCHEMBL8126777 0.88 PADI6 (0.48) NPY1RPADI6
SCHEMBL8121138 0.85 NPY1R (0.41) NPY1RNPY5RNPY2RPADI6
SCHEMBL9289679 0.85 NPY1R (0.41) NPY1RNPY5RNPY2RPADI6
SCHEMBL1388294 0.85 TACR1 (0.46) NPY1RTACR1NPY5RNPY2RNPY4R
SCHEMBL9286645 0.83 MCHR1 (0.50) PADI6
SCHEMBL8114285 0.83 MCHR1 (0.50) PADI6
SCHEMBL9284142 0.82 PADI6 (0.42) PADI6

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-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
Send feedback