SCHEMBL8526325

SCHEMBL8526325

COC(=O)Cc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](CCCN)C(=O)NC(N)=N[N+](=O)[O-])cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ EPOR P19235 3/20 0.35
▸ NPY1R P25929 5/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MC4R P32245 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CTSD P07339 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
SCHEMBL8114831 0.91 EPOR (0.39) NPSR1EPORALDH1A1TDP1KMT2A
SCHEMBL8119581 0.89 NPY1R (0.40) EPORNPY1R
SCHEMBL8126142 0.89 TDP1 (0.35) MAPTHTTNPSR1EPORNPY1R
SCHEMBL8127365 0.88 LMNA (0.41) MAPTHTTNPSR1ALDH1A1MEN1
SCHEMBL7038692 0.87 OPRM1 (0.34) MAPTHTTNPSR1EPORNPY1R
SCHEMBL8120746 0.87 TDP1 (0.34) EPORNPY1RTDP1MC4RMEN1
SCHEMBL8119418 0.87 NPY1R (0.32) MAPTHTTNPSR1EPORNPY1R
SCHEMBL8122527 0.87 NPY1R (0.38) EPORNPY1R
SCHEMBL8120388 0.86 NR3C2 (0.34) EPORNPY1RTDP1
SCHEMBL8112912 0.86 CTSD (0.36) MAPTHTTALDH1A1MEN1KMT2A

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 — — EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 — — WO disclosed
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