SCHEMBL8126142

SCHEMBL8126142

CN(C)c1ccc(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 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MMP13 P45452 3/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP8 P22894 2/20 0.33
▸ EPOR P19235 2/20 0.33
▸ NPY1R P25929 2/20 0.32
▸ MC4R P32245 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32

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) EPORNPY1R
SCHEMBL8120746 0.90 TDP1 (0.34) TDP1MEN1KMT2AEPORNPY1R
SCHEMBL8114831 0.89 EPOR (0.39) TDP1KMT2AEPORNPSR1
SCHEMBL8526325 0.89 MAPT (0.35) TDP1MEN1KMT2AEPORNPY1R
SCHEMBL8119418 0.88 NPY1R (0.32) TDP1EPORNPY1RMC4RMAPT
SCHEMBL8122527 0.88 NPY1R (0.38) EPORNPY1R
SCHEMBL8120388 0.88 NR3C2 (0.34) TDP1EPORNPY1R
SCHEMBL8127365 0.86 LMNA (0.41) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL8127523 0.86 NPY1R (0.33) MEN1KMT2AEPORNPY1RMAPT
SCHEMBL8111322 0.86 NPY1R (0.32) MEN1KMT2ANPY1RMC4RMAPT

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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