SCHEMBL8121913

SCHEMBL8121913

CN(Cc1ccc(O)cc1)C(=O)[C@H](N)CCCN/C(N)=N\[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 6/20 0.35
▸ NPY1R P25929 6/20 0.35
▸ NPY2R P49146 4/20 0.35
▸ NPY5R Q15761 4/20 0.35
▸ MTOR P42345 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ ADAM17 P78536 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
SCHEMBL8121919 0.82 NPY1R (0.35) NPY4RNPY1RNPY2RNPY5RMTOR
SCHEMBL8126834 0.82 CACNA1B (0.41) NPY1RF2
SCHEMBL9271189 0.82 NPY1R (0.37) NPY1RMTORF2ADAM17
SCHEMBL8120885 0.81 NPY1R (0.55) NPY4RNPY1RNPY5R
SCHEMBL8119387 0.81 NPY1R (0.45) NPY4RNPY1RNPY2RNPY5RNOS1
SCHEMBL8121207 0.81 NPY1R (0.35) NPY4RNPY1RNPY2RNPY5RF2
SCHEMBL8120806 0.77 ADAM17 (0.36) NPY4RNPY1RNPY2RNPY5RF2
SCHEMBL8119391 0.74 NPY1R (0.43) NPY4RNPY1RNPY2RNPY5RF2
SCHEMBL8112864 0.74 F2 (0.36) NPY1RF2ADAM17
SCHEMBL8124247 0.74 NPY1R (0.42) NPY4RNPY1RNPY5RF2

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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