SCHEMBL8119418

SCHEMBL8119418

NCCC[C@@H](C(=O)NC(N)=N[N+](=O)[O-])N(Cc1ccc(NC(N)=O)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 6/20 0.32
▸ MC4R P32245 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EPOR P19235 2/20 0.32
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ NPY4R P50391 2/20 0.30
▸ NPY5R Q15761 1/20 0.30

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
SCHEMBL8119581 0.91 NPY1R (0.40) NPY1REPORNPY4RNPY5R
SCHEMBL8120388 0.90 NR3C2 (0.34) NPY1REPORTDP1
SCHEMBL8122527 0.88 NPY1R (0.38) NPY1REPORNPY4RNPY5R
SCHEMBL8126142 0.88 TDP1 (0.35) NPY1RMC4REPORMAPTHTT
SCHEMBL8114831 0.88 EPOR (0.39) EPORNPSR1TDP1
SCHEMBL8526325 0.87 MAPT (0.35) NPY1RMC4REPORMAPTHTT
SCHEMBL8120746 0.87 TDP1 (0.34) NPY1RMC4REPORTDP1
SCHEMBL7038692 0.85 OPRM1 (0.34) NPY1RMC4REPORMAPTHTT
SCHEMBL8120144 0.85 EPOR (0.35) NPY1REPOR
SCHEMBL8127365 0.85 LMNA (0.41) SMN1; SMN2MAPTHTTNPSR1

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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