SCHEMBL9195759

SCHEMBL9195759

COc1ccc(CNC(=O)[C@H](CCC(N)C(N)=N[N+](=O)[O-])NC(=O)C(c2ccccc2)c2ccccc2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 15/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NPFFR1 Q9GZQ6 3/20 0.46
▸ NPFFR2 Q9Y5X5 2/20 0.46
▸ NPY5R Q15761 2/20 0.46
▸ NPY4R P50391 3/20 0.45
▸ MCHR1 Q99705 1/20 0.42

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
SCHEMBL9195749 1.00 NPY1R (0.47) NPY1RKDM4ECYP3A4GAAALOX15
SCHEMBL9201332 0.94 NPY1R (0.47) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL9201322 0.94 NPY1R (0.47) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL9198360 0.88 NPY1R (0.49) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL9198348 0.88 NPY1R (0.49) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL9194665 0.88 NPY1R (0.50) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL9194672 0.88 NPY1R (0.50) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL9199479 0.86 NPY1R (0.51) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL9199470 0.86 NPY1R (0.51) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL9203188 0.86 NPY1R (0.62) NPY1RNPFFR1NPFFR2NPY5RNPY4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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