SCHEMBL8111322

SCHEMBL8111322

Cc1cc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](CCCN)C(=O)NC(N)=N[N+](=O)[O-])cc(C)c1O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 8/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ MC4R P32245 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
SCHEMBL8127523 0.92 NPY1R (0.33) NPY1RKMT2AMEN1ALDH1A1LMNA
SCHEMBL8119581 0.88 NPY1R (0.40) NPY1R
SCHEMBL8120144 0.88 EPOR (0.35) NPY1RKMT2AMEN1
SCHEMBL8122527 0.86 NPY1R (0.38) NPY1R
SCHEMBL8126142 0.86 TDP1 (0.35) NPY1RKMT2AMEN1MAPTHTT
SCHEMBL8127365 0.85 LMNA (0.41) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL8114831 0.85 EPOR (0.39) KMT2AALDH1A1NPSR1
SCHEMBL8112912 0.85 CTSD (0.36) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL8121415 0.85 CTSD (0.36) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL8120799 0.85 EPOR (0.42) KMT2AMEN1ALDH1A1LMNANPSR1

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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