SCHEMBL9201204

SCHEMBL9201204

N/C(=N/[N+](=O)[O-])C(N)CCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCCc1c[nH]cn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 15/20 0.49
▸ NPY5R Q15761 4/20 0.37
▸ NPY4R P50391 2/20 0.37
▸ NPFFR1 Q9GZQ6 2/20 0.36
▸ NPFFR2 Q9Y5X5 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ NPY2R P49146 1/20 0.35
▸ TACR2 P21452 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34

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
SCHEMBL9201213 1.00 NPY1R (0.49) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9201156 0.83 CNR1 (0.53) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9201150 0.83 CNR1 (0.53) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9270062 0.81 CTSC (0.49) —
SCHEMBL9270051 0.81 CTSC (0.49) —
SCHEMBL9198192 0.81 NPY1R (0.43) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9198176 0.81 NPY1R (0.43) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9195767 0.79 CNR1 (0.46) NPY1RCNR1CNR2
SCHEMBL9195779 0.79 CNR1 (0.46) NPY1RCNR1CNR2
SCHEMBL9202326 0.77 MTNR1A (0.42) NPY1RCNR1CNR2

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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