SCHEMBL8120680

SCHEMBL8120680

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.36
▸ CNR2 P34972 4/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ NPY1R P25929 3/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 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
SCHEMBL8112170 0.91 CNR1 (0.35) CNR1CNR2HTR2AHRH1NPY1R
SCHEMBL8126911 0.88 NPY1R (0.39) NPY1R
SCHEMBL8119581 0.85 NPY1R (0.40) NPY1R
SCHEMBL8112501 0.85 KMT2A (0.38) CNR1CNR2
SCHEMBL8121485 0.84 — —
SCHEMBL8126702 0.84 NPY1R (0.31) NPY1R
SCHEMBL8119825 0.83 MC5R (0.43) —
SCHEMBL8111576 0.83 ALDH1A1 (0.39) CNR1CNR2
SCHEMBL8120144 0.83 EPOR (0.35) NPY1R
SCHEMBL8126142 0.83 TDP1 (0.35) NPY1R

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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