SCHEMBL9201137

SCHEMBL9201137

N=C(N)NCCCC(C(=O)O)N(CCc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 7/20 0.42
CNR1 P21554 4/20 0.40
CNR2 P34972 3/20 0.38
NPY5R Q15761 3/20 0.38
NPFFR1 Q9GZQ6 2/20 0.38
NPFFR2 Q9Y5X5 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
GLI1 P08151 1/20 0.36
GLI2 P10070 1/20 0.36
NPY4R P50391 3/20 0.36
NPY2R P49146 2/20 0.36

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
SCHEMBL9201144 1.00 NPY1R (0.42) NPY1RCNR1CNR2NPY5RNPFFR1
SCHEMBL1718512 0.94 NPY1R (0.42) NPY1RCNR1CNR2NPY5RNPFFR1
SCHEMBL9195693 0.90 NPY1R (0.42) NPY1RCNR1CNR2NPY5RNPFFR1
SCHEMBL9194825 0.89 ALDH1A1 (0.42) CNR1CNR2
SCHEMBL9194821 0.89 ALDH1A1 (0.42) CNR1CNR2
SCHEMBL1388287 0.88 CNR1 (0.45) CNR1CNR2
SCHEMBL8069325 0.85 CNR1 (0.39) NPY1RCNR1CNR2TRPV1
SCHEMBL8059066 0.85 CNR1 (0.47) NPY1RCNR1CNR2
SCHEMBL8070223 0.85 CNR1 (0.39) NPY1RCNR1CNR2NPY5RSLC6A5
SCHEMBL8073040 0.85 NPY1R (0.41) NPY1RCNR1NPY5RNPY4R

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