SCHEMBL8120746

SCHEMBL8120746

CN(C)C(=O)c1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](CCCN)C(=O)NC(N)=N[N+](=O)[O-])cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.34
▸ MC4R P32245 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ EPOR P19235 2/20 0.32
▸ NPY1R P25929 2/20 0.32
▸ HAT1 O14929 1/20 0.31
▸ EP300 Q09472 1/20 0.31
▸ LIMK2 P53671 1/20 0.31

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
SCHEMBL8126142 0.90 TDP1 (0.35) TDP1MC4RMEN1KMT2AEPOR
SCHEMBL8119581 0.89 NPY1R (0.40) EPORNPY1R
SCHEMBL8114831 0.88 EPOR (0.39) TDP1KMT2AEPOR
SCHEMBL8526325 0.87 MAPT (0.35) TDP1MC4RMEN1KMT2AEPOR
SCHEMBL8119418 0.87 NPY1R (0.32) TDP1MC4REPORNPY1R
SCHEMBL8122527 0.87 NPY1R (0.38) EPORNPY1R
SCHEMBL8120388 0.86 NR3C2 (0.34) TDP1EPORNPY1RLIMK2
SCHEMBL8127523 0.85 NPY1R (0.33) MEN1KMT2AEPORNPY1R
SCHEMBL8127365 0.85 LMNA (0.41) MEN1KMT2A
SCHEMBL8111322 0.85 NPY1R (0.32) MC4RMEN1KMT2ANPY1R

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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