SCHEMBL8120144

SCHEMBL8120144

NCCC[C@@H](C(=O)NC(N)=N[N+](=O)[O-])N(Cc1cccc(O)c1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 4/20 0.35
▸ CHRNA1 P02708 3/20 0.34
▸ CHRNG P07510 3/20 0.34
▸ CHRNB1 P11230 3/20 0.34
▸ CHRND Q07001 3/20 0.34
▸ NPY1R P25929 6/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL8120799 0.89 EPOR (0.42) EPORMEN1KMT2A
SCHEMBL8122527 0.88 NPY1R (0.38) EPORNPY1R
SCHEMBL8127523 0.88 NPY1R (0.33) EPORNPY1RMEN1KMT2A
SCHEMBL8111322 0.88 NPY1R (0.32) NPY1RMEN1KMT2A
SCHEMBL8127365 0.86 LMNA (0.41) MEN1KMT2A
SCHEMBL8121415 0.86 CTSD (0.36) MEN1KMT2A
SCHEMBL8112912 0.86 CTSD (0.36) MEN1KMT2A
SCHEMBL8126142 0.85 TDP1 (0.35) EPORNPY1RMEN1KMT2A
SCHEMBL8119418 0.85 NPY1R (0.32) EPORNPY1R

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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