SCHEMBL8127523

SCHEMBL8127523

Cc1cc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](CCCN)C(=O)NC(N)=N[N+](=O)[O-])ccc1O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 10/20 0.33
▸ EPOR P19235 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ CTSB P07858 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
SCHEMBL8111322 0.92 NPY1R (0.32) NPY1RMEN1KMT2AALDH1A1LMNA
SCHEMBL8121415 0.90 CTSD (0.36) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8119581 0.88 NPY1R (0.40) NPY1REPOR
SCHEMBL8112912 0.88 CTSD (0.36) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8120144 0.88 EPOR (0.35) NPY1REPORMEN1KMT2A
SCHEMBL8127365 0.87 LMNA (0.41) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8122527 0.86 NPY1R (0.38) NPY1REPOR
SCHEMBL8126142 0.86 TDP1 (0.35) NPY1REPORMEN1KMT2AMAPT
SCHEMBL8114831 0.85 EPOR (0.39) EPORKMT2AALDH1A1NPSR1
SCHEMBL8120799 0.85 EPOR (0.42) EPORMEN1KMT2AALDH1A1LMNA

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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