SCHEMBL8124256

SCHEMBL8124256

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ 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
SCHEMBL8126826 0.90 CNR1 (0.37) NPY1RF2CNR1CNR2
SCHEMBL8119276 0.89 MEN1 (0.38) NPY1RF2CNR1CNR2
SCHEMBL8124247 0.88 NPY1R (0.42) NPY1RF2CNR1CNR2
SCHEMBL9285632 0.87 F2 (0.33) NPY1RF2CNR1CNR2
SCHEMBL8112794 0.87 F2 (0.33) NPY1RF2CNR1CNR2
SCHEMBL8528491 0.86 NPY1R (0.35) NPY1RF2CNR1CNR2
SCHEMBL8111890 0.86 NPY1R (0.35) NPY1RF2CNR1CNR2
SCHEMBL8120508 0.86 F2 (0.38) NPY1RF2CNR1CNR2
SCHEMBL8120178 0.86 NPY1R (0.36) NPY1RF2CNR1CNR2
SCHEMBL8125954 0.85 CNR1 (0.39) NPY1RF2CNR1CNR2

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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