SCHEMBL8112170

SCHEMBL8112170

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ HTR2A P28223 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ NPY1R P25929 6/20 0.32
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ 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
SCHEMBL8120680 0.91 CNR1 (0.36) CNR1CNR2HTR2AHRH1NPY1R
SCHEMBL8119581 0.86 NPY1R (0.40) NPY1RNPY5R
SCHEMBL8126702 0.85 NPY1R (0.31) NPY1R
SCHEMBL8126911 0.85 NPY1R (0.39) NPY1RNPY5R
SCHEMBL8120144 0.84 EPOR (0.35) NPY1RMEN1KMT2A
SCHEMBL8126142 0.84 TDP1 (0.35) NPY1RMAPTHTTNPSR1MEN1
SCHEMBL8119418 0.84 NPY1R (0.32) NPY1RMAPTHTTNPSR1NPY5R
SCHEMBL8122527 0.84 NPY1R (0.38) NPY1RNPY5R
SCHEMBL8111322 0.83 NPY1R (0.32) NPY1RMAPTHTTNPSR1MEN1
SCHEMBL8114831 0.83 EPOR (0.39) CNR1CNR2NPSR1KMT2A

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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