SCHEMBL9201260

SCHEMBL9201260

CNC(=O)[C@H](CCCN)NC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 14/20 0.55
NPY5R Q15761 5/20 0.55
MMP1 P03956 2/20 0.54
MMP3 P08254 2/20 0.54
MMP9 P14780 1/20 0.54
NPY4R P50391 2/20 0.48
NPFFR1 Q9GZQ6 2/20 0.47
NPFFR2 Q9Y5X5 2/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
NPY2R P49146 1/20 0.46
CTSD P07339 1/20 0.45

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
SCHEMBL7597314 0.87 NPY1R (0.52) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL7597310 0.87 NPY1R (0.52) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8121995 0.87 NPY1R (0.52) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8120862 0.86 NPY1R (0.54) NPY1RNPY5RNPY4RNPFFR1NPFFR2
Hydrochloric Acid SCHEMBL9200911 0.86 NPY1R (0.51) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8526459 0.86 NPY1R (0.54) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8118882 0.83 CPB2 (0.55) NPY1RNPY5RMMP9NPY4RNPFFR1
SCHEMBL9197461 0.83 CPB2 (0.55) NPY1RNPY5RMMP9NPY4RNPFFR1
SCHEMBL8118883 0.83 CPB2 (0.55) NPY1RNPY5RMMP9NPY4RNPFFR1
SCHEMBL8650055 0.83 NPY1R (0.65) 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