SCHEMBL8528325

SCHEMBL8528325

N=C(N)NCCC[C@H](C(N)=O)N(CC(=O)C(c1ccccc1)c1ccccc1)Cc1ccc(CNC(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 9/20 0.41
▸ NPY4R P50391 2/20 0.41
▸ NPY5R Q15761 2/20 0.41
▸ TPSAB1 Q15661 2/20 0.39
▸ NPFFR1 Q9GZQ6 2/20 0.36
▸ NPFFR2 Q9Y5X5 2/20 0.36
▸ C3AR1 Q16581 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL7059809 0.85 NPY1R (0.42) NPY1RNPY4RNPY5RTPSAB1NPFFR1
SCHEMBL6899868 0.85 NPY1R (0.42) NPY1RNPY4RNPY5RTPSAB1NPFFR1
Trifluoroacetic Acid SCHEMBL649619 0.80 NPY1R (0.43) NPY1RNPY4RNPY5R
Trifluoroacetic Acid SCHEMBL7045238 0.80 NPY1R (0.43) NPY1RNPY4RNPY5R
SCHEMBL8111990 0.79 NPY4R (0.39) NPY1RNPY4RNPY5RTPSAB1
SCHEMBL8073040 0.79 NPY1R (0.41) NPY1RNPY4RNPY5RTPSAB1MEN1
SCHEMBL7600989 0.79 NPY1R (0.41) NPY1RNPY4RNPY5RTPSAB1NPFFR1
Hydrochloric Acid SCHEMBL8122088 0.79 NPY4R (0.39) NPY1RNPY4RNPY5RTPSAB1
SCHEMBL6898240 0.78 NPY1R (0.38) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8528714 0.78 TPSAB1 (0.38) NPY1RNPY4RNPY5RTPSAB1MEN1

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 — — EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 — — WO disclosed
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