SCHEMBL9198192

SCHEMBL9198192

NC(=N[N+](=O)[O-])C(N)CC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 14/20 0.43
▸ NPY5R Q15761 5/20 0.43
▸ NPY4R P50391 2/20 0.43
▸ NPFFR1 Q9GZQ6 2/20 0.43
▸ NPFFR2 Q9Y5X5 2/20 0.43
▸ NPY2R P49146 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ MDM4 O15151 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ ITGA5 P08648 1/20 0.38

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
SCHEMBL9198176 1.00 NPY1R (0.43) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9201156 0.91 CNR1 (0.53) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9201150 0.91 CNR1 (0.53) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9203180 0.85 NPY1R (0.62) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9203188 0.85 NPY1R (0.62) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9199470 0.84 NPY1R (0.51) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9199479 0.84 NPY1R (0.51) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9196804 0.83 NPY1R (0.59) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9196815 0.83 NPY1R (0.59) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9194672 0.82 NPY1R (0.50) NPY1RNPY5RNPY4RNPFFR1NPFFR2

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
Send feedback